Entropy Driven Stabilization of Energetically Unstable Crystal Structures Explained<? format?> from First Principles Theory P Souvatzis, O Eriksson, MI Katsnelson, SP Rudin Physical review letters 100 (9), 095901, 2008 | 491 | 2008 |
Classical potential describes martensitic phase transformations between the , , and titanium phases RG Hennig, TJ Lenosky, DR Trinkle, SP Rudin, JW Wilkins Physical Review B—Condensed Matter and Materials Physics 78 (5), 054121, 2008 | 250 | 2008 |
The self-consistent ab initio lattice dynamical method P Souvatzis, O Eriksson, MI Katsnelson, SP Rudin Computational materials science 44 (3), 888-894, 2009 | 160 | 2009 |
Effect of spin-orbit coupling on the actinide dioxides AnO2 (An= Th, Pa, U, Np, Pu, and Am): A screened hybrid density functional study XD Wen, RL Martin, LE Roy, GE Scuseria, SP Rudin, ER Batista, ... The Journal of chemical physics 137 (15), 2012 | 130 | 2012 |
Ab initio based empirical potential used to study the mechanical properties of molybdenum H Park, MR Fellinger, TJ Lenosky, WW Tipton, DR Trinkle, SP Rudin, ... Physical Review B—Condensed Matter and Materials Physics 85 (21), 214121, 2012 | 116 | 2012 |
Multiphase aluminum equations of state via density functional theory T Sjostrom, S Crockett, S Rudin Physical Review B 94 (14), 144101, 2016 | 106 | 2016 |
The He isoelectronic series and the Hooke’s law model: Correlation measures and modifications of Collins’ conjecture P Ziesche, VH Smith Jr, M Hô, SP Rudin, P Gersdorf, M Taut The Journal of chemical physics 110 (13), 6135-6142, 1999 | 83 | 1999 |
A screened hybrid DFT study of actinide oxides, nitrides, and carbides XD Wen, RL Martin, GE Scuseria, SP Rudin, ER Batista The Journal of Physical Chemistry C 117 (25), 13122-13128, 2013 | 62 | 2013 |
Screened hybrid and DFT+ U studies of the structural, electronic, and optical properties of U3O8 XD Wen, RL Martin, GE Scuseria, SP Rudin, ER Batista, AK Burrell J. Phys.: Condens. Matter 25 (025501), 025501, 2013 | 58 | 2013 |
Models and simulations of nuclear fuel materials properties M Stan, JC Ramirez, P Cristea, SY Hu, C Deo, BP Uberuaga, ... Journal of alloys and compounds 444, 415-423, 2007 | 51 | 2007 |
Synthesis and Systematic Trends in Structure and Electrical Properties of [(SnSe)1.15]m(VSe2)1, m = 1, 2, 3, and 4 R Atkins, M Dolgos, A Fiedler, C Grosse, SF Fischer, SP Rudin, ... Chemistry of Materials 26 (9), 2862-2872, 2014 | 44 | 2014 |
Thermal stabilization of the hcp phase in titanium SP Rudin, MD Jones, RC Albers Physical Review B 69 (9), 094117, 2004 | 44 | 2004 |
Dynamical stabilization of cubic by phonon-phonon interactions: Ab initio calculations P Souvatzis, SP Rudin Physical Review B—Condensed Matter and Materials Physics 78 (18), 184304, 2008 | 42 | 2008 |
Predicted simple-cubic phase and superconducting properties for compressed sulfur SP Rudin, AY Liu Physical review letters 83 (15), 3049, 1999 | 42 | 1999 |
Empirical tight-binding model for titanium phase transformations DR Trinkle, MD Jones, RG Hennig, SP Rudin, RC Albers, JW Wilkins Physical Review B—Condensed Matter and Materials Physics 73 (9), 094123, 2006 | 40 | 2006 |
Graphane nanotubes XD Wen, T Yang, R Hoffmann, NW Ashcroft, RL Martin, SP Rudin, JX Zhu Acs Nano 6 (8), 7142-7150, 2012 | 35 | 2012 |
Comparison of structural transformations and superconductivity in compressed sulfur and selenium SP Rudin, AY Liu, JK Freericks, A Quandt Physical Review B 63 (22), 224107, 2001 | 33 | 2001 |
Phonon density of states of metallic Sn at high pressure H Giefers, EA Tanis, SP Rudin, C Greeff, X Ke, C Chen, MF Nicol, ... Physical review letters 98 (24), 245502, 2007 | 32 | 2007 |
First-principles-based thermodynamic description of solid copper using the tight-binding approach SP Rudin, MD Jones, CW Greeff, RC Albers Physical Review B 65 (23), 235114, 2002 | 32 | 2002 |
Tight-binding calculations of the elastic constants and phonons of hcp Zr: Complications due to anisotropic stress and long-range forces I Schnell, MD Jones, SP Rudin, RC Albers Physical Review B—Condensed Matter and Materials Physics 74 (5), 054104, 2006 | 31 | 2006 |