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2010
Titov AV, Kindratenko VV, Ufimtsev IS, Martínez TJ.  2010.  Generation of kernels for calculating electron repulsion integrals of high angular momentum functions on GPUs–preliminary results. Proceedings of SAAHPC 2010. :1–3.
Kindratenko V, Wilhelmson R, Brunner R, Martínez TJ, Hwu W-mei.  2010.  High-performance computing with accelerators. Computing in Science & Engineering. 12:12–16.
Kryger MJ, Ong MT, Odom SA, Sottos NR, White SR, Martínez TJ, Moore JS.  2010.  Masked cyanoacrylates unveiled by mechanical force. Journal of the American Chemical Society. 132:4558–4559.
Thompson AL, Punwong C, Martínez TJ.  2010.  Optimization of width parameters for quantum dynamics with frozen Gaussian basis sets. Chemical Physics. 370:70–77.
Martínez TJ.  2010.  Physical chemistry: Seaming is believing. Nature. 467:412–413.
Olsen S, Lamothe K, Martínez TJ.  2010.  Protonic gating of excited-state twisting and charge localization in GFP chromophores: a mechanistic hypothesis for reversible photoswitching. Journal of the American Chemical Society. 132:1192–1193.
Lenhardt JM, Ong MT, Choe R, Evenhuis CR, Martínez TJ, Craig SL.  2010.  Trapping a diradical transition state by mechanochemical polymer extension. Science. 329:1057–1060.
Varganov SA, Martínez TJ.  2010.  Variational geminal-augmented multireference self-consistent field theory: Two-electron systems. The Journal of chemical physics. 132:054103.
2009
Levine BG, Martínez TJ.  2009.  Ab initio multiple spawning dynamics of excited butadiene: role of charge transfer. The Journal of Physical Chemistry A. 113:12815–12824.
Tao H, Levine BG, Martínez TJ.  2009.  Ab initio multiple spawning dynamics using multi-state second-order perturbation theory. The Journal of Physical Chemistry A. 113:13656–13662.
Chen J, Martínez TJ.  2009.  The dissociation catastrophe in fluctuating-charge models and its implications for the concept of atomic electronegativity. Advances in the Theory of Atomic and Molecular Systems. :397–415.
Ong MT, Leiding J, Tao H, Virshup AM, Martínez TJ.  2009.  First principles dynamics and minimum energy pathways for mechanochemical ring opening of cyclobutene. Journal of the American Chemical Society. 131:6377–6379.
Davis DA, Hamilton A, Yang J, Cremar LD, Van Gough D, Potisek SL, Ong MT, Braun PV, Martínez TJ, White SR et al..  2009.  Force-induced activation of covalent bonds in mechanoresponsive polymeric materials. Nature. 459:68–72.
Yang S, Martínez TJ.  2009.  Nonclassical Phase Space Jumps and Optimal Spawning. Advances in the Theory of Atomic and Molecular Systems. :35–45.
Roberts ST, Petersen PB, Ramasesha K, Tokmakoff A, Ufimtsev IS, Martínez TJ.  2009.  Observation of a Zundel-like transition state during proton transfer in aqueous hydroxide solutions. Proceedings of the National Academy of Sciences. 106:15154–15159.
Yang S, Coe JD, Kaduk B, Martínez TJ.  2009.  An “optimal” spawning algorithm for adaptive basis set expansion in nonadiabatic dynamics. The Journal of chemical physics. 130:134113.
Ufimtsev IS, Martínez TJ.  2009.  Quantum chemistry on graphical processing units. 2. Direct self-consistent-field implementation. Journal of Chemical Theory and Computation. 5:1004–1015.
Ufimtsev IS, Martínez TJ.  2009.  Quantum chemistry on graphical processing units. 3. Analytical energy gradients, geometry optimization, and first principles molecular dynamics. Journal of Chemical Theory and Computation. 5:2619–2628.

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