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Publications

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Author Title [ Type(Desc)] Year
Filters: Author is Martínez, Todd J  [Clear All Filters]
Conference Paper
Hudock H, Virshup A, Martínez TJ.  2007.  PHYS 323-Radiationless decay of pyrimidine bases in the gas phase and in water. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 234
Chen J, Hundertmark D, Martínez TJ.  2009.  PHYS 404-Fluctuating-charge models in bond space and their exact reformulation in atomic space. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 237
Tao H, Martínez TJ.  2007.  PHYS 511-Conformer-selected photodissociation: Ab initio multiple spawning dynamics of excited propanal cation. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 234
Ufimtsev IS, Martínez TJ.  2013.  Rotational dynamics of water near protein binding sites: Insights from ab initio molecular dynamics simulation. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 246
Martínez TJ, Hohenstein E, Kokkila SIL, Ufimtsev IS, Luehr N, Parrish R.  2013.  Tensor hypercontraction and graphical processing units for electronic structure and ab initio molecular dynamics. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 246
Martínez TJ.  2013.  Time resolved photoelectron spectroscopy from first principles nonadiabatic dynamics. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 245
Journal Article
Makhov DV, Glover WJ, Martínez TJ, Shalashilin DV.  2014.  Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics. The Journal of chemical physics. 141:054110.
Sisto A, Glowacki DR, Martínez TJ.  2014.  Ab Initio nonadiabatic dynamics of multichromophore complexes: a scalable graphical-processing-unit-accelerated exciton framework. Accounts of chemical research. 47:2857–2866.
Sisto A, Glowacki DR, Martínez TJ.  2014.  Ab Initio Nonadiabatic Dynamics of Multichromophore Complexes: A Scalable Graphical-Processing-Unit-Accelerated Exciton Framework. Accounts of chemical research.
Wang L-P, Titov A, McGibbon R, Liu F, Pande VS, Martínez TJ.  2015.  Corrigendum: Discovering chemistry with an ab initio nanoreactor. Nature chemistry. 7:87–87.
Punwong C, Owens J, Martínez TJ.  2014.  Direct QM/MM Excited State Dynamics of Retinal Protonated Schiff Base in Isolation and Methanol Solution. The Journal of Physical Chemistry B.
Punwong C, Owens J, Martínez TJ.  2014.  Direct QM/MM Excited-State Dynamics of Retinal Protonated Schiff Base in Isolation and Methanol Solution. The Journal of Physical Chemistry B.
Punwong C, Owens J, Martínez TJ.  2014.  Direct QM/MM Excited-State Dynamics of Retinal Protonated Schiff Base in Isolation and Methanol Solution. The Journal of Physical Chemistry B. 119:704–714.
Wang L-P, Titov A, McGibbon R, Liu F, Pande VS, Martínez TJ.  2014.  Discovering chemistry with an ab initio nanoreactor. Nature chemistry.
Wang J, Kouznetsova TB, Niu Z, Ong MT, Klukovich HM, Rheingold AL, Martínez TJ, Craig SL.  2015.  Inducing and quantifying forbidden reactivity with single-molecule polymer mechanochemistry. Nature chemistry. 7:323–327.
Wang J, Kouznetsova TB, Niu Z, Ong MT, Klukovich HM, Rheingold AL, Martínez TJ, Craig SL.  2015.  Inducing and quantifying forbidden reactivity with single-molecule polymer mechanochemistry. Nature Chemistry.
Gaenko A, DeFusco A, Varganov SA, Martínez TJ, Gordon MS.  2014.  Interfacing the Ab Initio Multiple Spawning Method with Electronic Structure Methods in GAMESS: Photodecay of trans-Azomethane. The Journal of Physical Chemistry A. 118:10902–10908.
Yang S, Coe JD, Kaduk B, Martínez TJ.  2008.  Multiple Spawning with Optimal Basis Set Expansion. arXiv preprint arXiv:0809.1703.
Martínez TJ.  2014.  Non-Born-Oppenheimer Dynamics in Ring-Opening and Biological Processes. Bulletin of the American Physical Society. 59
Wang J, Kouznetsova TB, Kean ZS, Fan L, Mar BD, Martínez TJ, Craig SL.  2014.  A remote stereochemical lever arm effect in polymer mechanochemistry. Journal of the American Chemical Society. 136:15162–15165.
Chen J, Martínez TJ.  2008.  Size-extensive polarizabilities with intermolecular charge transfer in a fluctuating-charge model. arXiv preprint arXiv:0812.1544.
Parrish RM, Hohenstein EG, Schunck NF, C Sherrill D, Martínez TJ.  2013.  Tensor hypercontraction: A universal technique for the resolution of matrix elements of local, finite-range $ N $-body potentials in many-body quantum problems. arXiv preprint arXiv:1301.5064.

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