| Force-induced activation of covalent bonds in mechanoresponsive polymeric materials DA Davis, A Hamilton, J Yang, LD Cremar, D Van Gough, SL Potisek, ... Nature 459 (7243), 68-72, 2009 | 1784 | 2009 |
| Quantum chemistry on graphical processing units. 3. Analytical energy gradients, geometry optimization, and first principles molecular dynamics IS Ufimtsev, TJ Martinez Journal of Chemical Theory and Computation 5 (10), 2619-2628, 2009 | 994 | 2009 |
| Isomerization through conical intersections BG Levine, TJ Martínez Annu. Rev. Phys. Chem. 58 (1), 613-634, 2007 | 957 | 2007 |
| Ab initio multiple spawning: Photochemistry from first principles quantum molecular dynamics M Ben-Nun, J Quenneville, TJ Martínez The Journal of Physical Chemistry A 104 (22), 5161-5175, 2000 | 942 | 2000 |
| Conical intersections and double excitations in time-dependent density functional theory BG Levine, C Ko, J Quenneville, TJ MartÍnez Molecular Physics 104 (5-7), 1039-1051, 2006 | 734 | 2006 |
| Quantum chemistry on graphical processing units. 1. Strategies for two-electron integral evaluation IS Ufimtsev, TJ Martinez Journal of Chemical Theory and Computation 4 (2), 222-231, 2008 | 657 | 2008 |
| Ab initio nonadiabatic quantum molecular dynamics BFE Curchod, TJ Martínez Chemical reviews 118 (7), 3305-3336, 2018 | 655 | 2018 |
| Building force fields: An automatic, systematic, and reproducible approach LP Wang, TJ Martinez, VS Pande The journal of physical chemistry letters 5 (11), 1885-1891, 2014 | 556 | 2014 |
| Ab Initio Quantum Molecular Dynamics M Ben‐Nun, TJ Martínez Advances in chemical physics 121, 439-512, 2002 | 520 | 2002 |
| Quantum chemistry on graphical processing units. 2. Direct self-consistent-field implementation IS Ufimtsev, TJ Martinez Journal of Chemical Theory and Computation 5 (4), 1004-1015, 2009 | 473 | 2009 |
| Nonadiabatic molecular dynamics: Validation of the multiple spawning method for a multidimensional problem M Ben-Nun, TJ Martınez The Journal of chemical physics 108 (17), 7244-7257, 1998 | 451 | 1998 |
| Optimizing conical intersections without derivative coupling vectors: Application to multistate multireference second-order perturbation theory (MS-CASPT2) BG Levine, JD Coe, TJ Martínez The Journal of Physical Chemistry B 112 (2), 405-413, 2008 | 450 | 2008 |
| Multi-electronic-state molecular dynamics: A wave function approach with applications TJ Martinez, M Ben-Nun, RD Levine The Journal of Physical Chemistry 100 (19), 7884-7895, 1996 | 450 | 1996 |
| Ab initio molecular dynamics and time-resolved photoelectron spectroscopy of electronically excited uracil and thymine HR Hudock, BG Levine, AL Thompson, H Satzger, D Townsend, N Gador, ... The Journal of Physical Chemistry A 111 (34), 8500-8508, 2007 | 418 | 2007 |
| Generating efficient quantum chemistry codes for novel architectures AV Titov, IS Ufimtsev, N Luehr, TJ Martinez Journal of chemical theory and computation 9 (1), 213-221, 2013 | 401 | 2013 |
| Discovering chemistry with an ab initio nanoreactor LP Wang, A Titov, R McGibbon, F Liu, VS Pande, TJ Martínez Nature chemistry 6 (12), 1044-1048, 2014 | 399 | 2014 |
| Mechanism and dynamics of azobenzene photoisomerization T Schultz, J Quenneville, B Levine, A Toniolo, TJ Martínez, S Lochbrunner, ... Journal of the American Chemical Society 125 (27), 8098-8099, 2003 | 392 | 2003 |
| Systematic improvement of a classical molecular model of water LP Wang, T Head-Gordon, JW Ponder, P Ren, JD Chodera, PK Eastman, ... The Journal of Physical Chemistry B 117 (34), 9956-9972, 2013 | 367 | 2013 |
| Trapping a diradical transition state by mechanochemical polymer extension JM Lenhardt, MT Ong, R Choe, CR Evenhuis, TJ Martinez, SL Craig Science 329 (5995), 1057-1060, 2010 | 335 | 2010 |
| Ab initio study of cis− trans photoisomerization in stilbene and ethylene J Quenneville, TJ Martinez The Journal of Physical Chemistry A 107 (6), 829-837, 2003 | 326 | 2003 |
Ivan UfimtsevPostdoctoral scholar, Stanford University在 stanford.edu 的电子邮件经过验证