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Author Title [ Type(Desc)] Year
Filters: Author is Todd J Martínez  [Clear All Filters]
Journal Article
Parrish RM, Hohenstein EG, Schunck NF, C Sherrill D, Martínez TJ.  2013.  Exact Tensor Hypercontraction: A Universal Technique for the Resolution of Matrix Elements of Local Finite-Range N-Body Potentials in Many-Body Quantum Problems. Physical review letters. 111:132505.
Hudock HR, Martínez TJ.  2008.  Excited-State Dynamics of Cytosine Reveal Multiple Intrinsic Subpicosecond Pathways. ChemPhysChem. 9:2486–2490.
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.
Mori T, Martínez TJ.  2013.  Exploring the Conical Intersection Seam: The Seam Space Nudged Elastic Band Method. Journal of Chemical Theory and Computation. 9:1155–1163.
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.
Titov AV, Ufimtsev IS, Luehr N, Martínez TJ.  2012.  Generating efficient quantum chemistry codes for novel architectures. Journal of Chemical Theory and Computation. 9:213–221.
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.
Martínez TJ.  2011.  Graphical Processing Units for Quantum Chemistry. Bulletin of the American Physical Society. 56
Ufimtsev IS, Martínez TJ.  2008.  Graphical processing units for quantum chemistry. Computing in Science & Engineering. 10:26–34.
Wolf TJacob Arca, Kuhlman TScheby, Schalk O, Martínez TJ, Møller KBraagaard, Stolow A, Unterreiner A-N.  2014.  Hexamethylcyclopentadiene: time-resolved photoelectron spectroscopy and ab initio multiple spawning simulations. Physical Chemistry Chemical Physics. 16:11770–11779.
Kindratenko V, Wilhelmson R, Brunner R, Martínez TJ, Hwu W-mei.  2010.  High-performance computing with accelerators. Computing in Science & Engineering. 12:12–16.
Levine BG, Coe JD, Virshup AM, Martínez TJ.  2008.  Implementation of< i> ab initio multiple spawning in the Molpro quantum chemistry package. Chemical Physics. 347:3–16.
Martínez TJ.  2006.  Insights for light-driven molecular devices from ab initio multiple spawning excited-state dynamics of organic and biological chromophores. Accounts of chemical research. 39:119–126.
Levine BG, Martínez TJ.  2007.  Isomerization through conical intersections. Annu. Rev. Phys. Chem.. 58:613–634.
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.
May PA, White SR, Martínez TJ, Boydston AJ, Moore JS.  2014.  Mechanically triggered heterolytic unzipping of a low-ceiling-temperature polymer.
Diesendruck CE, Peterson GI, Kulik HJ, Kaitz JA, Mar BD, May PA, White SR, Martínez TJ, Boydston AJ, Moore JS.  2014.  Mechanically triggered heterolytic unzipping of a low-ceiling-temperature polymer. Nature Chemistry.
Silberstein MN, Min K, Cremar LD, Degen CM, Martínez TJ, Aluru NR, White SR, Sottos NR.  2013.  Modeling mechanophore activation within a crosslinked glassy matrix. Journal of Applied Physics. 114:023504.
Silberstein MN, Cremar LD, Beiermann BA, Kramer SB, Martínez TJ, White SR, Sottos NR.  2014.  Modeling mechanophore activation within a viscous rubbery network. Journal of the Mechanics and Physics of Solids. 63:141–153.
Spector LS, Miyabe S, Magana A, Petretti S, Decleva P, Martínez TJ, Saenz A, Guehr M, Bucksbaum PH.  2013.  Multiple orbital contributions to molecular high-harmonic generation in an asymmetric top. arXiv preprint arXiv:1308.3733.
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.
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.
Thompson AL, Punwong C, Martínez TJ.  2010.  Optimization of width parameters for quantum dynamics with frozen Gaussian basis sets. Chemical Physics. 370:70–77.