Staff profile

Responsibilities within department

Head of Condensed Matter Section

Teaching activity

Level 1: Modern Physics

Research interests

• Programming and implementing first principle and empirical computer simulations for solid state, liquid and molecular systems.
• Density functional perturbation theory.
• First principles calculation of spectroscopic measurements.
• Computer simulations of structural and vibrational properties.
• Development of new techniques to calculate excited electronic states.
• Large scale computer simulations using high performance computing.

• Centre for Materials Physics
• Condensed Matter Physics
• First Principles Calculations
• XDur

• Personal home page

• 2016: Progress in Kohn Sham electronic structure theory from a wave function approach(£184351.00 from Leverhulme Trust)

Conference Paper

• Klarskov, Pernille, Clark, Stewart J. & Jepsen, Peter Uhd (2014), Numerical Investigation of Ultrafast interaction between THz Fields and Crystalline Materials, Conference on Lasers and Electro-Optics 2014 CONFERENCE ON LASERS AND ELECTRO-OPTICS (CLEO). 345 E 47TH ST, NEW YORK, NY 10017 USA, IEEE.
• Gibson, Michael C., Clark, Stewart J. Brand, Stuart & Abram, Richard A. (2005), Screened Exchange Calculations of Semiconductor Band Structures, in Menéndez, José & Van de Walle, Chris G. eds, AIP Conference Proceedings 772: 27th International Conference on the Physics of Semiconductors (ICPS-27). Flagstaff, Arizona, American Institute of Physics, Flagstaff AZ, 1125-1126.

Conference Proceeding

• Clark, SJ, Wang, XQ & Abram, RA (2005). Structural and electronic properties of HgTe quantum dots. Physics of Semiconductors, Pts A and B Int Union Pure \& Appl Phys; Natl Sci Fdn; AF Off Sci Res; Off Naval Res; Army Res Off; Defense Adv Res Project Agcy; European Off Aerosp Res Dev; Asian Off Aerosp Res \& Dev; Lawrence Berkeley Natl Lab; Natl Inst St, 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA, AMER INST PHYSICS.
• Salinero, VT, Gibson, MC, Brand, S, Clark, SJ & Abram, RA (2005). First-principles calculations of 2x2 reconstructions of GaN surfaces. Physics of Semiconductors, Pts A and B Int Union Pure \& Appl Phys; Natl Sci Fdn; AF Off Sci Res; Off Naval Res; Army Res Off; Defense Adv Res Project Agcy; European Off Aerosp Res Dev; Asian Off Aerosp Res \& Dev; Lawrence Berkeley Natl Lab; Natl Inst St, 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA, AMER INST PHYSICS.
• Rushton, PP & Clark, SJ (2003). Demonstrating the effectiveness of a nonlocal density functional description of exchange and correlation. FUNDAMENTALS OF ELECTRON DENSITY, DENSITY MATRIX AND DENSITY FUNCTIONAL THEORY IN ATOMS, MOLECULES AND THE SOLID STATE, PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS, SPRINGER.
• Clark, SJ, Ackland, GJ & Crain, J (1998). Electronic structure calculations of liquid crystal molecules: Application to chiral solutes. LIQUID CRYSTALS: PHYSICS, TECHNOLOGY AND APPLICATIONS Mil Univ Technol, Inst Appl Phys, Warsaw, Poland; Mil Univ Technol, Inst Chem, Warsaw, Poland; State Comm Sci Res, Poland; Soc Photo Opt Instrumentat Engineers; Commiss European Communities, Directorat, 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA, SPIE-INT SOC OPTICAL ENGINEERING.
• Adam, CJ, Clark, SJ & Crain, J (1998). Structure, dynamics and molecular properties of liquid crystals molecules and fragments from first principles computer simulations performed on Cray T3D. LIQUID CRYSTALS: PHYSICS, TECHNOLOGY AND APPLICATIONS Mil Univ Technol, Inst Appl Phys, Warsaw, Poland; Mil Univ Technol, Inst Chem, Warsaw, Poland; State Comm Sci Res, Poland; Soc Photo Opt Instrumentat Engineers; Commiss European Communities, Directorat, 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA, SPIE-INT SOC OPTICAL ENGINEERING.
• Maclean, J, Hatton, PD, Crain, J, Piltz, RO, Clark, SJ & Cernik, RJ (1996). Structural refinement and stability of silicon XII. EUROPEAN POWDER DIFFRACTION: EPDIC IV, PTS 1 AND 2 Philips Anal X Ray; CLRC Daresbury Lab, BRANDRAIN 6, CH-8707 ZURICH-UETIKON, SWITZERLAND, TRANSTEC PUBLICATIONS LTD.
• Hatton PD, Crain J, Ackland GJ, Clark SJ & Piltz RO (1994). Metastable Structures Of Tetrahedral Semiconductors. Joint Conference of the International-Association-for-Research-and-Advancement-of-High-Pressure-Science-and-Technology/American-Physical-Society-Topical-Group-on-Shock-Compression-of-Condensed-Matter, Colorado Springs, American Institute of Physics.

Journal Article

• Huddart, B. M., Lancaster, T., Blundell, S. J., Guguchia, Z., Taniguchi, H., Clark, S. J. & Pratt, F. L. (2023). μSR investigation of magnetism in κ−(ET)2X Antiferromagnetism. Physical Review Research 5(1): 013015.
• Goldie, Stuart J., Degiacomi, Matteo T., Jiang, Shan, Clark, Stewart J., Erastova, Valentina & Coleman, Karl S. (2022). Identification of Graphene Dispersion Agents through Molecular Fingerprints. ACS Nano 16(10): 16109.
• Hicken, T. J., Hawkhead, Z., Wilson, M. N., Huddart, B. M., Hall, A. E., Balakrishnan, G., Wang, C., Pratt, F. L., Clark, S. J. & Lancaster, T. (2022). Energy-gap driven low-temperature magnetic and transport properties in Cr1/3MS2(M = Nb, Ta). Physical Review B 105(6): L060407.
• Younes, A., De la Flor, S., Clark, S. J., Nutter, J., Birkett, M., Watson, J. O., Unthank, M. & Gonzalez, Sergio (2022). Tribological Behavior of Microalloyed Cu50Zr50 Alloy. Journal of Tribology 144(2): 021706.
• Curley, S. P. M., Huddart, B. M., Kamenskyi, D., Coak, M. J., Williams, R. C., Ghannadzadeh, S., Schneider, A., Okubo, S., Sakurai, T., Ohta, H., Tidey, J. P., Graf, D., Clark, S. J., Blundell, S. J., Pratt, F. L., Telling, M. T. F., Lancaster, T., Manson, J. L. & Goddard, P. A. (2021). Anomalous magnetic exchange in a dimerized quantum magnet composed of unlike spin species. Physical Review B 104(21): 214435.
• Huddart, B.M., Onuorah, I. J. Isah, M. M. Bonfa, P. Blundell, S. J. Clark, S. J., De Renzi, R. & Lancaster, T (2021). Intrinsic nature of spontaneous magnetic fields in superconductors with time-reversal symmetry breaking. Physical Review Letters 127(23): 237002.
• Lu, Haichang, Clark, Stewart, Guo, Yuzheng & Robertson, John (2021). The metal–insulator phase change in vanadium dioxide and its applications. Journal of Applied Physics 129(24): 240902.
• Kaplan, Aaron D., Clark, Stewart J., Burke, Kieron & Perdew, John P. (2021). Calculation and interpretation of classical turning surfaces in solids. npj Computational Materials 7: 25.
• Auckett, Josie E., Lopez-Odriozola, Laura, Clark, Stewart J. & Radosavljevic Evans, Ivana (2021). Exploring the nature of the fergusonite–scheelite phase transition and ionic conductivity enhancement by Mo6+ doping in LaNbO4. Journal of Materials Chemistry A 9(7): 4091-4102.
• Friedrich, Alexandra, Collings, Ines E., Dziubek, Kamil F., Fanetti, Samuele, Radacki, Krzysztof, Ruiz-Fuertes, Javier, Pellicer-Porres, Julio, Hanfland, Michael, Sieh, Daniel, Bini, Roberto, Clark, Stewart J. & Marder, Todd B. (2020). Pressure-Induced Polymerization of Polycyclic Arene–Perfluoroarene Cocrystals: Single Crystal X-ray Diffraction Studies, Reaction Kinetics, and Design of Columnar Hydrofluorocarbons. Journal of the American Chemical Society 142(44): 18907-18923.
• Arh, T., Gomilšek, M., Prelovšek, P., Pregelj, M., Klanjšek, M., Ozarowski, A., Clark, S. J., Lancaster, T., Sun, W., Mi, J.-X. & Zorko, A. (2020). Origin of Magnetic Ordering in a Structurally Perfect Quantum Kagome Antiferromagnet. Physical Review Letters 125(2): 027203.
• Hicken, T. J., Holt, S. J. R., Franke, K. J. A., Hawkhead, Z., Štefančič, A., Wilson, M. N., Gomilšek, M., Huddart, B. M., Clark, S. J., Lees, M. R., Pratt, F. L., Blundell, S. J., Balakrishnan, G. & Lancaster, T. (2020). Magnetism and Néel skyrmion dynamics in GaV4S8−ySey. Physical Review Research 2(3): 032001.
• Lu, Haichang, Clark, Stewart, Guo, Yuzheng & Robertson, John (2020). Modelling the enthalpy change and transition temperature dependence of the metal–insulator transition in pure and doped vanadium dioxide. Physical Chemistry Chemical Physics 22(24): 13474-13478.
• Zhang, Zhaofu, Guo, Yuzheng, Lu, Haichang, Clark, Stewart J. & Robertson, John (2020). Hybrid band offset calculation for heterojunction interfaces between disparate semiconductors. Applied Physics Letters 116(13): 131602.
• Benton, C J, Mitchell, C N, Coleman, M, Paling, S M, Lincoln, D L, Thompson, L, Clark, S J & Gluyas, J G (2020). Optimizing geophysical muon radiography using information theory. Geophysical Journal International 220(2): 1078-1094.
• Pozina, Galia, Ivanov, Konstantin A., Morozov, Konstantin M., Girshova, Elizaveta I., Egorov, Anton Yu., Clark, Stewart J. & Kaliteevski, Mikhail A. (2019). Enhancement of light emission in Bragg monolayer-thick quantum well structures. Scientific Reports 9(1): 10162
• Guo, Y., Li, H., Clark, S. J. & Robertson, J. (2019). Band Offset Models of Three-Dimensionally Bonded Semiconductors and Insulators. The Journal of Physical Chemistry C 123(9): 5562–5570.
• Tarekegne, Abebe T., Zhou, Binbin, Kaltenecker, Korbinian, Iwaszczuk, Krzysztof, Clark, Stewart & Jepsen, Peter Uhd (2019). Terahertz time-domain spectroscopy of zone-folded acoustic phonons in 4H and 6H silicon carbide. Optics Express 27(3): 3618-3628.
• He, Chaoyu, Shi, Xizhi, Clark, Stewart J., Li, Jin, Pickard, Chris J., Ouyang, Tao, Zhang, Chunxiao, Tang, Chao & Zhong, Jianxin (2018). Complex Low Energy Tetrahedral Polymorphs of Group IV Elements from First Principles. Physical Review Letters 121(17): 175701.
• Lancaster, T, Xiao, F, Huddart, B M, Williams, R C, Pratt, F L, Blundell, S J, Clark, S J, Scheuermann, R, Goko, T, Ward, S, Manson, J L, Rüegg, Ch & Krämer, K W (2018). Quantum magnetism in molecular spin ladders probed with muon-spin spectroscopy. New Journal of Physics 20(10): 103002.
• Franke, Kévin J. A., Huddart, Benjamin M., Hicken, Thomas J., Xiao, Fan, Blundell, Stephen J., Pratt, Francis L., Crisanti, Marta, Barker, Joel A. T., Clark, Stewart J., Štefančič, Aleš, Hatnean, Monica Ciomaga, Balakrishnan, Geetha & Lancaster, Tom (2018). Magnetic phases of skyrmion-hosting GaV4S8−ySey (y = 0, 2, 4, 8) probed with muon spectroscopy. Physical Review B 98(5): 054428.
• Plekhanov, Evgeny, Hasnip, Phil, Sacksteder, Vincent, Probert, Matt, Clark, Stewart J., Refson, Keith & Weber, Cedric (2018). Many-body renormalization of forces in f-electron materials. Physical Review B 98(7): 075129.
• Jacquet, Alain, Geatches, Dawn L., Clark, Stewart J. & Greenwell, H. Chris (2018). Understanding cationic polymer adsorption on mineral surfaces: kaolinite in cement aggregates. Minerals 8(4): 130.
• Manson, Jamie L., Brambleby, Jamie, Goddard, Paul A., Spurgeon, Peter M., Villa, Jacqueline A., Liu, Junjie, Ghannadzadeh, Saman, Foronda, Francesca, Singleton, John, Lancaster, Tom, Clark, Stewart J., Thomas, Iorwerth O., Xiao, Fan, Williams, Robert C., Pratt, Francis L., Blundell, Stephen J., Topping, Craig V., Baines, Christopher, Campana, Charles & Noll, Bruce (2018). Implications of bond disorder in a S=1 kagome lattice. Scientific Reports 8(1): 4745.
• Schoonmaker, R., Lancaster, T. & Clark, S. J. (2018). Quantum mechanical tunneling in the automerization of cyclobutadiene. The Journal of Chemical Physics 148(10): 104109.
• Thomas, I. O., Clark, S. J. & Lancaster, T. (2017). Exchange constants in molecule-based magnets derived from density functional methods. Physical Review B 96(9): 094403.
• Clark, Stewart J., Hollins, Thomas W., Refson, Keith & Gidopoulos, Nikitas I. (2017). Self-interaction free local exchange potentials applied to metallic systems. Journal of Physics: Condensed Matter 29(37): 374002.
• Ivanov, K.A., Girshova, E.I., Kaliteevski, M.A., CLark, S.J. & Gallant, A.J. (2016). Anharmonic Bloch oscillations of electrons in electrically biased superlattices. Semiconductors 50(11): 1463-1468.
• Lancaster, T., Xiao, F., Salman, Z., Thomas, I.O., Blundell, S.J., Pratt, F.L., Clark, S.J., Prokscha, T., Suter, A., Zhang, S.L., Baker, A.A. & Hesjedal, T. (2016). Transverse field muon-spin rotation measurement of the topological anomaly in a thin film of MnSi. Physical Review B 93(14): 140412(R).
• Lejaeghere, Kurt, Bihlmayer, Gustav, Bjoerkman, Torbjoern, Blaha, Peter, Bluegel, Stefan, Blum, Volker, Caliste, Damien, Castelli, Ivano E., Clark, Stewart J., Dal Corso, Andrea, de Gironcoli, Stefano, Deutsch, Thierry, Dewhurst, John Kay, Di Marco, Igor, Draxl, Claudia, Dulak, Marcin, Eriksson, Olle, Flores-Livas, Jose A., Garrity, Kevin F., Genovese, Luigi, Giannozzi, Paolo, Giantomassi, Matteo, Goedecker, Stefan, Gonze, Xavier, Granaes, Oscar, Gross, E. K. U., Gulans, Andris, Gygi, Francois, Hamann, D. R., Hasnip, Phil J., Holzwarth, N. A. W., Iusan, Diana, Jochym, Dominik B., Jollet, Francois, Jones, Daniel, Kresse, Georg, Koepernik, Klaus, Kuecuekbenli, Emine, Kvashnin, Yaroslav O., Locht, Inka L. M., Lubeck, Sven, Marsman, Martijn, Marzari, Nicola, Nitzsche, Ulrike, Nordstrom, Lars, Ozaki, Taisuke, Paulatto, Lorenzo, Pickard, Chris J., Poelmans, Ward, Probert, Matt I. J., Refson, Keith, Richter, Manuel, Rignanese, Gian-Marco, Saha, Santanu, Scheffler, Matthias, Schlipf, Martin, Schwarz, Karlheinz, Sharma, Sangeeta, Tavazza, Francesca, Thunstroem, Patrik, Tkatchenko, Alexandre, Torrent, Marc, Vanderbilt, David, van Setten, Michiel J., Van Speybroeck, Veronique, Wills, John M., Yates, Jonathan R., Zhang, Guo-Xu & Cottenier, Stefaan (2016). Reproducibility in density functional theory calculations of solids. Science 351(6280): aad3000.
• Williams, R.C., Xiao, F., Thomas, I.O., Clark, S.J., Lancaster, T., Cornish, G. A., Blundell, S.J., Hayes, W., Paul, A. K., Felser, C. & Jansen, M. (2016). Muon-spin relaxation study of the double perovskite insulators Sr2 BOsO6 (B  =  Fe, Y, ln). Journal of Physics: Condensed Matter 28(7): 076001.
• Grégoire, Brian, Erastova, Valentina, Geatches, Dawn L., Clark, Stewart J., Greenwell, H. Christopher & Fraser, Donald G. (2016). Insights into the Behaviour of Biomolecules on the Early Earth: The Concentration of Aspartate by Layered Double Hydroxide Minerals. Geochimica et Cosmochimica Acta 176: 239-258.
• Pozina, G., Kaliteevski, M. A., Nikitina, E. V., Denisov, D. V., Polyakov, N. K., Pirogov, E. V., Goray, L. I., Gubaydullin, A. R., Ivanov, K. A., Kaliteevskaya, N. A., Egorov, A. Yu. & Clark, S. J. (2015). Super-radiant mode in InAs-monolayer-based Bragg structures. Scientific Reports 5: 14911.
• Lancaster, T., Williams, R. C., Thomas, I. O., Xiao, F., Pratt, F. L., Blundell, S. J., Loudon, J. C., Hesjedal, T., Clark, S. J., Hatton, P. D., Ciomaga Hatnean, M., Keeble, D. S. & Balakrishnan, G. (2015). Transverse field muon-spin rotation signature of the skyrmion-lattice phase in Cu2OSeO3. Physical Review B 91(22): 224408.
• Ali, N. Z., Williams, R. C., Xiao, F., Clark, S. J., Lancaster, T., Blundell, S. J., Sheptyakov, D. V. & Jansen, M. (2015). Magnetostructural relationship in the tetrahedral spin-chain oxide CsCoO2. Physical Review B 91(2): 024419.
• Guo, Yuzheng, Robertson, John & Clark, Stewart J. (2015). The effects of screening length in the non-local screened-exchange functional. Journal of Physics: Condensed Matter 27(2): 025501.
• Hasnip, Philip J., Refson, Keith, Probert, Matt I. J., Yates, Jonathan R., Clark, Stewart J. & Pickard, Chris J. (2014). Density functional theory in the solid state. Philosophical Transactions of the Royal Society A: Physical, Mathematical and Engineering Sciences 372(2011): 20130270.
• Guo, Yuzheng, Clark, Stewart J. & Robertson, John (2014). Calculation of metallic and insulating phases of V2O3 by hybrid density functionals. Journal of Chemical Physics 140(5): 054702.
• Gillen, R., Clark, S.J. & Robertson, J. (2013). Nature of the electronic band gap in lanthanide oxides. Physical Review B 87(12): 125116.
• Geatches, Dawn L., Clark, Stewart J. & Greenwell, Hugh C. (2013). DFT+U investigation of the catalytic properties of ferruginous clay. American Mineralogist 98(1): 132-140.
• Whale, Thomas F., Clark, Stewart J., Finney, John L. & Salzmann, Christoph G. (2013). DFT-assisted interpretation of the Raman spectra of hydrogen-ordered ice XV. Journal of Raman Spectroscopy 44(2): 290-298.
• Tuxworth, Andrew J., McCabe, Emma E., Free, David G., Clark, Stewart J. & Evans, John S. O. (2013). Structural Characterization and Physical Properties of the New Transition Metal Oxyselenide La2O2ZnSe2. Inorganic Chemistry 52(4): 2078-2085.
• Tulip, P. R., Bates, S. P. & Clark, S. J. (2012). The high-pressure electronic structure of the [Ni(ptdt)2] organic molecular conductor. Journal of Chemical Physics 137(2): 024701.
• Apperley, David C., Batsanov, Andrei S., Clark, Stewart J., Harris, Robin K., Hodgkinson, Paul & Jochym, Dominik B. (2012). Computation of magnetic shielding to simultaneously validate a crystal structure and assign a solid-state NMR spectrum. Journal of Molecular Structure 1015: 192-201.
• Geatches, D. L., Clark, S. J. & Greenwell, H. C. (2012). Iron reduction in nontronite-type clay minerals: Modelling a complex system. GEOCHIMICA ET COSMOCHIMICA ACTA 81: 13-27.
• Geatches, Dawn L., Jacquet, Alain, Clark, Stewart J. & Greenwell, H. Christopher (2012). Monomer Adsorption on Kaolinite: Modeling the Essential Ingredients. JOURNAL OF PHYSICAL CHEMISTRY C 116(42): 22365-22374.
• Gillen, R., Robertson, J. & Clark, S. J. (2012). Electron spin resonance signature of the oxygen vacancy in HfO2. Applied Physics Letters 101(10): 102904.
• Lee, Hsin-Yi, Clark, Stewart J. & Robertson, John (2012). Calculation of point defects in rutile TiO2 by the screened-exchange hybrid functional. PHYSICAL REVIEW B 86(7): 075209.
• Hollins, T. W., Clark, S. J., Refson, K. & Gidopoulos, N. I. (2012). Optimized effective potential using the Hylleraas variational method. PHYSICAL REVIEW B 85(23): 235126.
• Robertson, J., Gillen, R. & Clark, S. J. (2012). Advances in understanding of transparent conducting oxides. THIN SOLID FILMS 520(10, SI): 3714-3720.
• Guo, Yuzheng, Clark, Stewart J. & Robertson, John (2012). Electronic and magnetic properties of Ti2O3, Cr2O3, and Fe2O3 calculated by the screened exchange hybrid density functional. Journal of Physics: Condensed Matter 24(32): 325504.
• Hunt, M.R.C. & Clark, S.J. (2012). Extraordinarily Long-Ranged Structural Relaxation in Defective Achiral Carbon Nanotubes. Physical Review Letters 109(26): 265502.
• Clark, Stewart J., Jouanna, Paul, Haines, Julien & Mainprice, David (2011). Calculation of infrared and Raman vibration modes of magnesite at high pressure by density-functional perturbation theory and comparison with experiments. PHYSICS AND CHEMISTRY OF MINERALS 38(3): 193-202.
• Geatches, D. L., Greenwell, H. C. & Clark, S. J. (2011). Ab initio transition state searching in complex systems: Fatty acid decarboxylation in minerals. Journal of physical chemistry A 115(12): 2658-2667.
• Clark, S.J., Lin, L. & Robertson, J. (2011). On the identification of the oxygen vacancy in HfO(2). Microelectronic Engineering 88(7): 1464-1466.
• Clark, S.J. & Robertson, J. (2011). Calculation of semiconductor band structures and defects by the screened exchange density functional. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 248(3): 537-546.
• Clark, S.J., Herbert, A.P., Uhrin, D., Hakobyan, S., Morgan, B.P., Bishop, P.N. & Day, A.J. (2011). Characterisation of the GAG-binding properties of complement factor H, an immune regulator associated with AMD. INTERNATIONAL JOURNAL OF EXPERIMENTAL PATHOLOGY 92(3): A37-A38.
• Robertson, J. & Clark, S.J. (2011). Limits to doping in oxides. Physical Review B 83(7): 075205.
• Lin, L., Robertson, J. & Clark, S.J. (2011). Shifting Schottky barrier heights with ultra-thin dielectric layers. MICROELECTRONIC ENGINEERING 88(7): 1461-1463.
• Khan, Gobinda Gopal, Clark, S.J. & Bandyopadhyay, N.R. (2010). ELECTRONIC, MECHANICAL AND OPTICAL PROPERTIES OF Si(3)P(4) AND Ge(3)P(4): AN AB INITIO STUDY. International Journal of Modern Physics B 24(28): 5487-5494.
• Liu, D., Clark, S.J. & Robertson, J. (2010). Oxygen vacancy levels and electron transport in Al(2)O(3). Applied Physics Letters 96(3): 032905.
• Geatches, Dawn L., Clark, Stewart J. & Greenwell, Hugh C. (2010). Role of Clay Minerals in Oil-Forming Reactions. The Journal of Physical Chemistry A 114(10): 3569-3575.
• Clark, Stewart J. & Robertson, John (2010). Screened exchange density functional applied to solids. Physical Review B 82(8): 085208.
• Tan, Osbert, Clark, S.J., Szablewski, M. & Cross, G.H. (2010). Understanding the optical spectroscopy of amphiphilic molecular rectifiers: A density functional approach. Journal of Chemical Physics 133(24): 244702.
• Clark, S.J., Robertson, J., Lany, S. & Zunger, A. (2010). Intrinsic defects in ZnO calculated by screened exchange and hybrid density functionals. Physical Review B 81(11): 115311.
• Milman, V., Refson, K., Clark, S.J., Pickard, C.J., Yates, J.R., Gao, S. -P., Hasnip, P.J., Probert, M.I.J., Perlov, A. & Segall, M.D. (2010). Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 954(1-3, SI): 22-35.
• Milman, Victor, Perlov, Alexander, Refson, Keith, Clark, Stewart J., Gavartin, Jacob & Winkler, Bjoern (2009). Structural, electronic and vibrational properties of tetragonal zirconia under pressure: a density functional theory study. Journal of Physics: Condensed Matter 21(48): 485404.
• Clark, S.J. & Robertson, J. (2009). Energy levels of oxygen vacancies in BiFeO(3) by screened exchange. Applied Physics Letters 94(2): 022902.
• Gremaud, R., Lodziana, Z., Hug, P., Willenberg, B., Racu, A-M., Schoenes, J., Ramirez-Cuesta, A.J., Clark, S.J., Refson, K., Zuettel, A. & Borgschulte, A. (2009). Evidence for hydrogen transport in deuterated LiBH(4) from low-temperature Raman-scattering measurements and first-principles calculations. PHYSICAL REVIEW B 80(10): 100301.
• Hintschich, Susanne I., Rothe, Carsten, King, Simon M., Clark, Stewart J. & Monkman, Andrew P. (2008). The Complex Excited-state Behavior of a Polyspirobifluorene Derivative: The Role of Spiroconjugation and Mixed Charge Transfer Character on Excited-state Stabilization and Radiative Lifetime. Journal of Physical Chemistry B 112(51): 16300-16306.
• Palai, R., Katiyar, R.S., Schmid, H., Tissot, P., Clark, S.J., Robertson, J., Redfern, S.A.T., Catalan, G. & Scott, J.F. (2008). β phase and γ-β metal-insulator transition in multiferroic BiFeO3. Physical Review B 77(1): 014110.
• Xiong, K., Robertson, J. & Clark, S.J. (2008). Electronic defects in LaAlO3. MICROELECTRONIC ENGINEERING 85(1, SI): 65-69.
• Jones, Peter A., Archer, Trevor K., Baylin, Stephen B., Beck, Stephan, Berger, Shelley, Bernstein, Bradley E., Carpten, John D., Clark, Susan J., Costello, Joseph F., Doerge, Rebecca W., Esteller, Manel, Feinberg, Andrew P., Gingeras, Thomas R., Greally, John M., Henikoff, Steven, Herman, James G., Jackson-Grusby, Laurie, Jenuwein, Thomas, Jirtle, Randy L., Kim, Young-Joon, Laird, Peter W., Lim, Bing, Martienssen, Robert, Polyak, Kornelia, Stunnenberg, Henk, Tlsty, Thea Dorothy, Tycko, Benjamin, Ushijima, Toshikazu, Zhu, Jingde, Pirrotta, Vincenzo, Allis, C. David, Elgin, Sarah C., Rine, Jasper, Wu, Carl, Amer Assoc Canc Res Human Epigenom & European Union Network Excellence (2008). Moving AHEAD with an international human epigenome project. NATURE 454(7205): 711-715.
• Zheng, G, Clark, SJ, Brand, S & Abram, RA (2007). Non-local density functional description of poly-para-phenylene vinylene. Chinese Physics Letters 24(3): 807-810.
• Soleilhavoup, Anne, Hampson, Matthew R., Clark, Stewart J., Evans, John S.O. & Hodgkinson, Paul (2007). Using O-17 solid-state NMR and first principles calculation to characterise structure and dynamics in inorganic framework materials. MAGNETIC RESONANCE IN CHEMISTRY 45(S): S144-S155.
• Hinshelwood, Rebecca A., Huschtscha, Lily I., Melki, John, Stirzaker, Clare, Abdipranoto, Andrea, Vissel, Bryce, Ravasi, Timothy, Wells, Christine A., Hume, David A., Reddel, Roger R. & Clark, Susan J. (2007). Concordant epigenetic silencing of transforming growth factor-beta signaling pathway genes occurs early in breast carcinogenesis. CANCER RESEARCH 67(24): 11517-11527.
• Jochym, Dominik B. & Clark, Stewart J. (2007). Exchange-correlation holes in metal surfaces using nonlocal density-functional theory. PHYSICAL REVIEW B 76(7): 075411.
• Jepsen, Peter Uhd & Clark, Stewart J. (2007). Precise ab-initio prediction of terahertz vibrational modes in crystalline systems. CHEMICAL PHYSICS LETTERS 442(4-6): 275-280.
• Geary, Elaine A.M., Yellowlees, Lesley J., Parsons, Simon, Pilia, Luca, Serpe, Angela, Mercuri, M. Laura, Deplano, Paola, Clark, Stewart J. & Robertson, Neil (2007). Influence of the R-substituents on the properties of [Ni(R(2)pipdt)(dmit)] complexes and crystal structure where R = CH2C6H5. DALTON TRANSACTIONS (46): 5453-5459.
• Lee, Joyce M., Davis, Matthew M., Clark, Sarah J. & Kemper, Alex R. (2007). Threshold of evaluation for short stature in a pediatric endocrine clinic: Differences between boys versus girls? JOURNAL OF PEDIATRIC ENDOCRINOLOGY \& METABOLISM 20(1): 21-26.
• Kemper, Alex R. & Clark, Sarah J. (2007). Preschool vision screening by family physicians. Journal of Pediatric Ophthalmology and Strabismus 44(1): 24-27.
• Robbins, A.J., Ng, W.T.K., Jochym, D., Keal, T.W., Clark, S.J., Tozer, D.J. & Hodgkinson, P. (2007). Combining insights from solid-state NMR and first principles calculation: applications to the ¹⁹F NMR of octafluoronaphthalene. Physical Chemistry Chemical Physics 9(19): 2389-2396.
• Clark, S.J. & Robertson, J. (2007). Band gap and Schottky barrier heights of multiferroic BiFeO3. Applied Physics Letters 90(13): 132903.
• Xiong, K., Robertson, J. & Clark, S.J. (2007). Behavior of hydrogen in wide band gap oxides. Journal of Applied Physics 102(8): 083710.
• Szablewski, M., Bloor, D., Kagawa, Y., Mosurkal, R., Cole, J.M., Clark, S.J., Cross, G.H. & Palsson, L.O. (2006). Matrix dependence of blue light emission from a novel NH2-functionalized dicyanoquinodimethane derivative. Journal of Physical Organic Chemistry 19(3): 206-213.
• Timon, V., Brand, S., Clark, S. J. & Abram, R. A. (2006). Molecular dynamics calculations of the thermal expansion properties and melting points of Si and Ge. Journal of Physics: Condensed Matter 18(13): 3489-3498.
• Kemper, AR, Uren, RL & Clark, SJ (2006). Adoption of electronic health records in primary care pediatric practices. PEDIATRICS 118(1): E20-E24.
• Xiong, K., Robertson, J. & Clark, S.J. (2006). Defect energy states in high-K gate oxides. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 243(9): 2071-2080.
• Gibson, MC, Brand, S & Clark, SJ (2006). Screened-exchange stress tensor in density functional theory. PHYSICAL REVIEW B 73(12): 125120.
• McGregor, Pamela A., Allan, David R., Parsons, Simon & Clark, Stewart J. (2006). Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O). ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE 62(Part 4): 599-605.
• Robertson, J, Xiong, K & Clark, SJ (2006). Band gaps and defect levels in functional oxides. THIN SOLID FILMS 496(1): 1-7.
• Kemper, Alex R., Uren, Rebecca L. & Clark, Sarah J. (2006). Barriers to follow-up eye care after preschool vision screening in the primary care setting: Findings from a pilot study. JOURNAL OF AAPOS 10(5): 476-478.
• Refson, K, Tulip, PR & Clark, SJ (2006). Variational density-functional perturbation theory for dielectrics and lattice dynamics. PHYSICAL REVIEW B 73(15): 155114.
• Tulip, P.R. & Clark, S.J. (2006). Lattice dynamical and dielectric properties of L-amino acids. PHYSICAL REVIEW B 74(6): 064301.
• Heaton, Robert J., Madden, Paul A., Clark, Stewart J. & Jahn, Sandro (2006). Condensed phase ionic polarizabilities from plane wave density functional theory calculations. Journal of Chemical Physics 125(14): 144104.
• Xiong, K., Robertson, J. & Clark, S.J. (2006). Defect states in the high-dielectric-constant gate oxide LaAlO3. Applied Physics Letters 89(2): 022907.
• Moggach, SA, Allan, DR, Clark, SJ, Gutmann, MJ, Parsons, S, Pulham, CR & Sawyer, L (2006). High-pressure polymorphism in L-cysteine: the crystal structures of L-cysteine-III and L-cysteine-IV. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE 62(Part 2): 296-309.
• Zheng, G, Clark, SJ, Brand, S & Abram, RA (2006). Lattice dynamics of polyaniline and poly(p-pyridyl vinyline): First-principles determination. Physical Review B 74(16): 165210.
• Kemper, Alex R., Uren, Rebecca L., Moseley, Kathryn L. & Clark, Sarah J. (2006). Primary care physicians' attitudes regarding follow-up care for children with positive newborn screening results. PEDIATRICS 118(5): 1836-1841.
• Robertson, J., Xiong, K. & Clark, S.J. (2006). Band structure of functional oxides by screened exchange and the weighted density approximation. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 243(9): 2054-2070.
• Gibbons, David W., Bohan, David A., Rothery, Peter, Stuart, Rick C., Haughton, Alison J., Scott, Rod J., Wilson, Jeremy D., Perry, Joe N., Clark, Suzanne J., Dawson, Robert J.G. & Firbank, Les G. (2006). Weed seed resources for birds in fields with contrasting conventional and genetically modified herbicide-tolerant crops. PROCEEDINGS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES 273(1596): 1921-1928.
• Xiong, K., Robertson, J. & Clark, S.J. (2006). Passivation of oxygen vacancy states in HfO2 by nitrogen. Journal of Applied Physics 99(4): 044105.
• Staniland, SS, Fujita, W, Umezono, Y, Awaga, K, Clark, SJ, Cui, HB, Kobayashi, H & Robertson, N (2005). A unique new multiband molecular conductor: [BDTA][Ni(dmit)(2)](2). CHEMICAL COMMUNICATIONS (25): 3204-3206.
• Staniland, SS, Fujita, W, Umezono, Y, Awaga, K, Camp, PJ, Clark, SJ & Robertson, N (2005). [BDTA](2)[Cu(mnt)(2)]: An almost perfect one-dimensional magnetic material. INORGANIC CHEMISTRY 44(3): 546-551.
• Chisholm, JA, Motherwell, S, Tulip, PR, Parsons, S & Clark, SJ (2005). An ab initio study of observed and hypothetical polymorphs of glycine. CRYSTAL GROWTH \& DESIGN 5(4): 1437-1442.
• Timon, V., Brand, S., Clark, S. J., Gibson, M. C. & Abram, R. A. (2005). First-principles calculations of 2x2 reconstructions of GaN(0001) surfaces involving N, Al, Ga, In, and as atoms. Physical Review B 72(3): 035327.
• Zheng, Guang Clark, S. J., Tulip, P. R., Brand, S. & Abram, R. A. (2005). Ab initio dynamics study of poly-para-phenylene vinylene. Journal of Chemical Physics 123(2): 024904.
• Xiong, K., Robertson, J., Gibson, M.C. & Clark, S.J. (2005). Defect energy levels in HfO2 high-dielectric-constant gate oxide. Applied Physics Letters 87(18): 183505.
• Timon, V., Brand, S., Clark, S. J. & Abram, R. A. (2005). Theoretical adlayer surface morphology of wurtzite 2 × 2 reconstructions of the GaN (0001) surface. Journal of Physics: Condensed Matter 17(1): 17-26.
• Giblin, S. R., Terry, I., Clark, S. J., Prokscha, T., Prabhakaran, D., Boothroyd, A. T., Wu, J. & Leighton, C. (2005). Observation of magnetic excitons in LaCoO 3. Europhysics Letters 70(5): 677-683.
• Clark, SJ, Segall, MD, Pickard, CJ, Hasnip, PJ, Probert, MJ, Refson, K & Payne, MC (2005). First principles methods using CASTEP. ZEITSCHRIFT FUR KRISTALLOGRAPHIE 220(5-6): 567-570.
• Moggach, SA, Clark, SJ & Parsons, S (2005). L-cysteine-I at 30 K. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 61(Part 8): O2739-O2742.
• Dawson, A, Allan, DR, Belmonte, SA, Clark, SJ, David, WIF, McGregor, PA, Parsons, S, Pulham, CR & Sawyer, L (2005). Effect of high pressure on the crystal structures of polymorphs of glycine. CRYSTAL GROWTH \& DESIGN 5(4): 1415-1427.
• Tulip, PR & Clark, SJ (2005). Structural and electronic properties of L-amino acids. PHYSICAL REVIEW B 71(19): 195117.
• Chen, CW, Lee, MH & Clark, SJ (2004). Field penetration induced charge redistribution effects on the field emission properties of carbon nanotubes - a first-principle study. APPLIED SURFACE SCIENCE 228(1-4): 143-150.
• Tulip, P.R. & Clark, S.J. (2004). Dielectric and vibrational properties of amino acids. Journal of Chemical Physics 121(11): 5201-5210.
• Zheng, Guang Clark, S J Brand, S & Abram, R A (2004). First-principles studies of the structural and electronic properties of poly-para-phenylene vinylene. Journal of Physics: Condensed Matter 16(47): 8609-8620.
• Timon, V, Brand, S, Clark, S J & Abram, R A (2004). Ab initio studies of strained wurtzite GaN surfaces. Journal of Physics: Condensed Matter 16(4): 531-542.
• Chen, CW, Lee, MH & Clark, SJ (2004). Band gap modification of single-walled carbon nanotube and boron nitride nanotube under a transverse electric field. NANOTECHNOLOGY 15(12): 1837-1843.
• Cheung, D.L., Clark, S.J. & Wilson, M.R. (2004). Calculation of flexoelectric coefficients for a nematic liquid crystal by atomistic simulation. Journal of Chemical Physics 121(18): 9131-9139.
• Wang, XQ, Clark, SJ & Abram, RA (2004). Ab initio calculations of the structural and electronic properties of HgmTen clusters. PHYSICAL REVIEW B 70(23): 235328.
• Clark, SJ & Rushton, PP (2004). Investigation on exchange and correlation holes in a strongly confined electron gas. Journal of Physics: Condensed Matter 16(28): 4833-4844.
• Chen, CW, Lee, MH & Clark, SJ (2004). Gas molecule effects on field emission properties of single-walled carbon nanotube. DIAMOND AND RELATED MATERIALS 13(4-8): 1306-1313.
• Smith, C.E., Smith, P.S., Thomas, R.L., Robins, E.G., Collings, J.C., Dai, C.Y., Scott, A.J., Borwick, S., Batsanov, A.S., Watt, S.W., Clark, S.J., Viney, C., Howard, J.A.K., Clegg, W. & Marder, T.B. (2004). Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans. Journal of Materials Chemistry 14(3): 413-420.
• Collings, J. C., Roscoe, K. P., Robins, E. G., Batsanov, A. S., Stimson, L. M., Howard, J. A. K., Clark, S. J. & Marder, T. B. (2002). Arene-perfluoroarene interactions in crystal engineering 8: structures of 1 1 complexes of hexafluorobenzene with fused-ring polyaromatic hydrocarbons. New Journal of Chemistry 26(12): 1740-1746.
• Segall, MD, Lindan, PJD, Probert, MJ, Pickard, CJ, Hasnip, PJ, Clark, SJ & Payne, MC (2002). First-principles simulation: ideas, illustrations and the CASTEP code. Journal of Physics: Condensed Matter 14(11): 2717-2744.
• Allan, DR, Clark, SJ, Dawson, A, McGregor, PA & Parsons, S (2002). Pressure-induced polymorphism in phenol. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE 58(Part 6): 1018-1024.
• Cheung, DL, Clark, SJ & Wilson, MR (2002). Parametrization and validation of a force field for liquid-crystal forming molecules. PHYSICAL REVIEW E 65(5, Part 1): 051709.
• Rushton, PP, Tozer, DJ & Clark, SJ (2002). Nonlocal density-functional description of exchange and correlation in silicon. Physical Review B 65(23): 235203.
• Cheung, D.L., Clark, S.J. & Wilson, M.R. (2002). Calculation of the rotational viscosity of a nematic liquid crystal. Chemical Physics Letters 356(1-2): 140-146.
• Rushton, PP, Tozer, DJ & Clark, SJ (2002). Description of exchange and correlation in the strongly inhomogeneous electron gas using a nonlocal density functional. Physical Review B 65(19): 193106.
• Allan, DR, Clark, SJ, Dawson, A, McGregor, PA & Parsons, S (2002). Comparison of the high-pressure and low-temperature structures of sulfuric acid. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS (8): 1867-1871.
• King, EM, Clark, SJ, Verdozzi, CF & Ackland, GJ (2001). Interaction between metallic p orbitals and the pi orbitals of organic molecules: The binding between ethylene and aluminum. JOURNAL OF PHYSICAL CHEMISTRY B 105(3): 641-645.
• Al-Allak, HM & Clark, SJ (2001). Valence-band offset of the lattice-matched beta-FeSi(2)(100)/Si(001) heterostructure. PHYSICAL REVIEW B 63(3): 033311.
• Cronin, L, Clark, SJ, Parsons, S, Nakamura, T & Robertson, N (2001). Unique structural topologies involving metal-metal and metal-sulfur interactions: salts of [Ni(C3S5)(2)](x-) with cis-anti-cis-dicyclohexyl-18-crown-6 complexed counter ions. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS (8): 1347-1351.
• Al-Allak, HM & Clark, SJ (2001). Valence-band offset of the lattice-matched beta-FeSi2(100)/Si(001) heterostructure. PHYSICAL REVIEW B 63(3): 033311.
• Bloor, D., Kagawa, Y., Szablewski, M., Ravi, M., Clark, S. J., Cross, G. H., Palsson, L-O., Beeby, A., Parmer, C. & Rumbles, G. (2001). Matrix dependence of light emission from TCNQ adducts. Journal of Materials Chemistry 11(12): 3053-3062.
• Ackland, GJ & Clark, SJ (2001). Ab initio molecular dynamics of liquid carbon disulphide. MOLECULAR PHYSICS 99(10): 855-863.
• Rushton, P. P., Clark, S. J. & Tozer, D. J. (2001). Density-functional calculations of semiconductor properties using a semiempirical exchange-correlation functional. Physical Review B 63(11): 115206.
• Allan, DR, Clark, SJ, Parsons, S & Ruf, M (2000). A high-pressure structural study of propionic acid and the application of CCD detectors in high-pressure single-crystal x-ray diffraction. Journal of Physics: Condensed Matter 12(39): L613-L620.
• Clark, AR & Clark, SJ (2000). Rolling-horizon lot-sizing when set-up times are sequence-dependent. INTERNATIONAL JOURNAL OF PRODUCTION RESEARCH 38(10): 2287-2307.
• Clark, SJ, Markwick, PRL, Ackland, GJ & Crain, J (2000). Short-time reorientational processes in molecular fluids. EUROPHYSICS LETTERS 49(1): 34-40.
• Allan, DR & Clark, SJ (1999). Impeded dimer formation in the high-pressure crystal structure of formic acid. PHYSICAL REVIEW LETTERS 82(17): 3464-3467.
• Allan, DR & Clark, SJ (1999). Comparison of the high-pressure and low-temperature structures of ethanol and acetic acid. Physical Review B 60(9): 6328-6334.
• Allan, DR, Clark, SJ, Ibberson, RM, Parsons, S, Pulham, CR & Sawyer, L (1999). The influence of pressure and temperature on the crystal structure of acetone. CHEMICAL COMMUNICATIONS (8): 751-752.
• Kelsey, AA, Ackland, GJ & Clark, SJ (1998). Stability and electronic structure of the cinnabar phase in GaAs. Physical Review B 57(4): R2029-R2032.
• Clark, SJ, Ackland, GJ & Crain, J (1998). Ab initio molecular polarisabilities of liquid crystals: Application to DOBAMBC and 5CB. EUROPHYSICS LETTERS 44(5): 578-584.
• Allan, DR, Clark, SJ, Brugmans, MJP, Ackland, GJ & Vos, WL (1998). Structure of crystalline methanol at high pressure. PHYSICAL REVIEW B 58(18): 11809-11812.
• Warren, MC, Ackland, GJ, Karki, BB & Clark, SJ (1998). Phase transitions in silicate perovskites from first principles. MINERALOGICAL MAGAZINE 62(5): 585-598.
• Hsueh, H.C., Chen, R.K., Vass, H., Clark, S.J., Ackland, G.J., Poon, W.C.K. & Crain, J. (1998). Compression mechanisms in quasimolecular XI(3) (X = As, Sb, Bi) solids. Physical Review B 58(22): 14812-14822.
• Allan, DR, Kelsey, AA, Clark, SJ, Angel, RJ & Ackland, GJ (1998). High-pressure semiconductor-semimetal transition in TiS2. Physical Review B 57(9): 5106-5110.
• Adam, CJ, Clark, SJ, Wilson, MR, Ackland, GJ & Crain, J (1998). Transferability of first principles derived torsional potentials for mesogenic molecules and fragments. MOLECULAR PHYSICS 93(6): 947-954.
• Clark, SJ, Al-Allak, HM, Brand, S & Abram, RA (1998). Structure and electronic properties of FeSi2. Physical Review B 58(16): 10389-10393.
• Clark, SJ, Adam, CJ, Ackland, GJ & Crain, J (1997). Conformation energy surface for liquid crystal molecules from first principles: Application to 5CB. MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS 299: 39-\&.
• Karki, BB, Stixrude, L, Clark, SJ, Warren, MC, Ackland, GJ & Crain, J (1997). Structure and elasticity of MgO at high pressure. AMERICAN MINERALOGIST 82(1-2): 51-60.
• Clark, SJ, Adam, CJ, Hsueh, HC, Pu, F & Crain, J (1997). Vibrational properties of liquid crystal molecules from ab initio computer simulation. MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY SECTION A-MOLECULAR CRYSTALS AND LIQUID CRYSTALS 302: 433-438.
• Clark, SJ, Adam, CJ, Cleaver, DJ & Crain, J (1997). Conformational energy landscapes of liquid crystal molecules. LIQUID CRYSTALS 22(4): 477-482.
• Clark, SJ & Ackland, GJ (1997). Ab initio calculations of the self-interstitial in silicon. Physical Review B 56(1): 47-50.
• Clark, SJ, Crain, J & Ackland, GJ (1997). Comparison of bonding in amorphous silicon and carbon. Physical Review B 55(21): 14059-14062.
• Hsueh, HC, Vass, H, Pu, FN, Clark, SJ, Poon, CK & Crain, J (1997). Low-frequency dynamics of liquid crystals. EUROPHYSICS LETTERS 38(2): 107-112.
• Clark, SJ, Adam, CJ, Ackland, GJ, White, J & Crain, J (1997). Properties of liquid crystal molecules from first principles computer simulation. LIQUID CRYSTALS 22(4): 469-475.
• Ackland, GJ, Warren, MC & Clark, SJ (1997). Practical methods in ab initio lattice dynamics. Journal of Physics: Condensed Matter 9(37): 7861-7872.
• Adam, CJ, Clark, SJ, Ackland, GJ & Crain, J (1997). Conformation-dependent dipoles of liquid crystal molecules and fragments from first principles. PHYSICAL REVIEW E 55(5, Part a): 5641-5649.
• Karki, BB, Stixrude, L, Clark, SJ, Warren, MC, Ackland, GJ & Crain, J (1997). Elastic properties of orthorhombic MgSiO3 perovskite at lower mantle pressures. AMERICAN MINERALOGIST 82(5-6): 635-638.
• Karki, BB, Clark, SJ, Warren, MC, Hsueh, HC, Ackland, GJ & Crain, J (1997). Ab initio elasticity and lattice dynamics of AgGaSe2. Journal of Physics: Condensed Matter 9(2): 375-380.
• Freed, GL, Katz, SL & Clark, SJ (1996). Safety of vaccinations - Miss America, the media, and public health. JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION 276(23): 1869-1872.
• Hsueh, HC, Warren, MC, Vass, H, Ackland, GJ, Clark, SJ & Crain, J (1996). Vibrational properties of the layered semiconductor germanium sulfide under hydrostatic pressure: Theory and experiment. Physical Review B 53(22): 14806-14817.
• Piltz, R. O., Maclean, J. R., Clark, S. J., Ackland, G. J., Hatton, P. D. & Crain, J. (1995). Structure and properties of silicon XII: A complex tetrahedrally bonded phase. Physical Review B 52(6): 4072-4085.
• CRAIN, J, ACKLAND, GJ, PILTZ, RO, HATTON, PD & CLARK, SJ (1995). DENSE TETRAHEDRAL STRUCTURES OF COMPOUND SEMICONDUCTOR. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 56(3-4): 495-500.
• HSUEH, HC, VASS, H, CLARK, SJ & CRAIN, J (1995). BREAKDOWN OF RIGID-UNIT VIBRATIONS IN LAYERED SEMICONDUCTORS UNDER PRESSURE - APPLICATION TO GERMANIUM SULFIDE (VOL 31, PG 151, 1995). EUROPHYSICS LETTERS 31(8): 503.
• CLARK, SJ, ACKLAND, GJ & AKBARZADEH, H (1995). A THEORETICAL-STUDY OF PRESSURE EFFECTS ON SELENIUM-I. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS 56(3-4): 329-334.
• HSUEH, HC, MACLEAN, JR, GUO, GY, LEE, MH, CLARK, SJ, ACKLAND, GJ & CRAIN, J (1995). PRESSURE-INDUCED POLYMORPHISM IN CUCL - AN AB-INITIO STUDY. Physical Review B 51(18): 12216-12222.
• Clark, SJ, Ackland, GJ & Crain, J (1995). Theoretical stability limit of diamond at ultrahigh pressure. Physical Review B 52(21): 15035-15038.
• CRAIN, J, ACKLAND, GJ & CLARK, SJ (1995). EXOTIC STRUCTURES OF TETRAHEDRAL SEMICONDUCTORS. REPORTS ON PROGRESS IN PHYSICS 58(7): 705-754.
• Hsueh, H.C., Vass, H., Clark, S.J. & Crain, J. (1995). Breakdown of Rigid-Unit Vibrations in Layered Semiconductors under Pressure: Application to Germanium Sulfide. Europhysics Letters 31(3): 151-155.
• HSUEH, HC, VASS, H, CLARK, SJ, ACKLAND, GJ & CRAIN, J (1995). HIGH-PRESSURE EFFECTS IN THE LAYERED SEMICONDUCTOR GERMANIUM SELENIDE. Physical Review B 51(23): 16750-16760.
• Crain, J., Piltz, R. O., Ackland, G. J., Clark, S. J., Payne, M. C., Milman, V., Lin, J. S., Hatton, P. D. & Nam, Y. H. (1994). Tetrahedral structures and phase transitions in III-V semiconductors. Physical Review B 50(12): 8389-8401.
• CLARK, SJ, ACKLAND, GJ, CRAIN, J & PAYNE, MC (1994). VERY-LOW ENERGY SURFACE OF SILICON. Physical Review B 50(8): 5728-5731.
• Clark, S.J., Ackland, G.J. & Crain, J. (1994). Theoretical study of high-density phases of covalent semiconductors. II. Empirical treatment. Physical Review B 49(8): 5341-5352.
• Crain, J., Clark, S.J., Ackland, G.J., Payne, M.C., Milman, V., Hatton, P.D. & Reid, B.J. (1994). Theoretical study of high-density phases of covalent semiconductors. I. Ab initio treatment. Physical Review B 49(8): 5329-5340.
• CLARK, SJ & ACKLAND, GJ (1993). VIBRATIONAL AND ELASTIC EFFECTS OF POINT-DEFECTS IN SILICON. Physical Review B 48(15): 10899-10908.
• AKBARZADEH, H, CLARK, SJ & ACKLAND, GJ (1993). A THEORETICAL-STUDY OF SELENIUM-I UNDER HIGH-PRESSURE. Journal of Physics: Condensed Matter 5(43): 8065-8074.
• CLARK, SJ (1985). THE EFFECTS OF GOVERNMENT EXPENDITURE ON THE TERM STRUCTURE OF INTEREST-RATES - COMMENT. JOURNAL OF MONEY CREDIT AND BANKING 17(3): 397-400.