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Author Title Type [ Year(Asc)]
Filters: Author is Todd J Martínez  [Clear All Filters]
2012
Virshup AM, Chen J, Martínez TJ.  2012.  Nonlinear dimensionality reduction for nonadiabatic dynamics: The influence of conical intersection topography on population transfer rates. The Journal of chemical physics. 137:22A519.
Spector LS, Artamonov M, Miyabe S, Martínez TJ, Seideman T, Guehr M, Bucksbaum PH.  2012.  Orientational decomposition of molecular high harmonic emission in three dimensions. arXiv preprint arXiv:1207.2517.
Kulik HJ, Martínez TJ.  2012.  Predictive Enzyme Catalysis and Protein Structure with Quantum Chemistry On GPUs. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 244
Spector LS, Martínez TJ, Artamonov M, Seideman T, Bucksbaum PH, Guehr M, Miyabe S.  2012.  Quantified angular contributions for high harmonic emission of molecules in three dimensions. Nature communications. 5:3190.
Mori T, Glover WJ, Schuurman MS, Martínez TJ.  2012.  Role of Rydberg States in the photochemical dynamics of ethylene. The Journal of Physical Chemistry A. 116:2808–2818.
Hohenstein EG, Parrish RM, Martínez TJ.  2012.  Tensor hypercontraction density fitting. I. Quartic scaling second-and third-order Møller-Plesset perturbation theory. The Journal of chemical physics. 137:044103.
Parrish RM, Hohenstein EG, Martínez TJ, C Sherrill D.  2012.  Tensor hypercontraction. II. Least-squares renormalization. The Journal of chemical physics. 137:224106.
2011
Ufimtsev IS, Luehr N, Martínez TJ.  2011.  Charge transfer and polarization in solvated proteins from ab initio molecular dynamics. The Journal of Physical Chemistry Letters. 2:1789–1793.
Tao H, Shen L, Kim MHwa, Suits AG, Martínez TJ.  2011.  Conformationally selective photodissociation dynamics of propanal cation. The Journal of chemical physics. 134:054313.
Kim J, Tao H, White JL, Petrović VS, Martínez TJ, Bucksbaum PH.  2011.  Control of 1, 3-cyclohexadiene photoisomerization using light-induced conical intersections. The Journal of Physical Chemistry A. 116:2758–2763.
Luehr N, Ufimtsev IS, Martínez TJ.  2011.  Dynamic precision for electron repulsion integral evaluation on graphical processing units (GPUs). Journal of Chemical Theory and Computation. 7:949–954.
Ufimtsev IS, Luehr N, Titov A, Martínez TJ.  2011.  Electronic Structure and First Principles Dynamics on Graphical Processing Units. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 242
Isborn CM, Luehr N, Ufimtsev IS, Martínez TJ.  2011.  Excited-state electronic structure with configuration interaction singles and Tamm–Dancoff time-dependent density functional theory on graphical processing units. Journal of chemical theory and computation. 7:1814–1823.
Martínez TJ.  2011.  Graphical Processing Units for Quantum Chemistry. Bulletin of the American Physical Society. 56
Ye D, Titov A, Kindratenko V, Ufimtsev I, Martínez TJ.  2011.  Porting optimized GPU kernels to a multi-core CPU.
Lenhardt JM, Ogle JW, Ong MT, Choe R, Martínez TJ, Craig SL.  2011.  Reactive cross-talk between adjacent tension-trapped transition states. Journal of the American Chemical Society. 133:3222–3225.
Evenhuis C, Martínez TJ.  2011.  A scheme to interpolate potential energy surfaces and derivative coupling vectors without performing a global diabatization. The Journal of chemical physics. 135:224110.
Thompson AL, Martínez TJ.  2011.  Time-resolved photoelectron spectroscopy from first principles: Excited state dynamics of benzene. Faraday discussions. 150:293–311.
Tao H, Allison TK, Wright TW, Stooke AM, Khurmi C, van Tilborg J, Liu Y, Falcone RW, Belkacem A, Martínez TJ.  2011.  Ultrafast internal conversion in ethylene. I. The excited state lifetime. The Journal of chemical physics. 134:244306.

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