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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
Isborn CM, Goetz AW, Clark M, Martínez TJ, Walker RC.  2012.  Ab initio QM/MM molecular dynamics using TeraChem and AMBER: Exploring environmental effects on the absorption spectrum of photoactive yellow protein. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 244
Glover WJ, Martínez TJ.  2012.  Charge-transfer states in the nonadiabatic dynamics of photoexcited trans-butadiene. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 244
Schlosberg CE, Hudock H, Martínez TJ.  2008.  CHED 1026-Simulating a relaxation mechanism for UV-excited 9H-Adenine. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 235
Chen J, Martínez TJ.  2007.  COMP 107-QTPIE: A minimal extension of Goddard's QEq model with correct dissociation. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 234
Martínez TJ.  2007.  COMP 398-Redesigning photoactive proteins from first principles. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 234
Ufimtsev IS, Martínez TJ.  2008.  COMP 60-Graphical processing unit: A novel computational architecture for quantum chemistry. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 236
Robinson D, Hemp J, Kelleher NL, Martínez TJ, Gennis RB.  2007.  The evolutionary migration of a post-translationally modified active-site residue in the proton-pumping heme-copper oxygen reductases. BIOPHYSICAL JOURNAL. :502A–502A.
Martínez TJ.  2012.  Excitation and charge transport with first principles dynamics. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 244
Varganov SA, Martínez TJ.  2009.  Explicitly-correlated methods for multistate quantum dynamics. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 238
Cremar LD, Ong MT, Leiding JA, Martínez TJ.  2010.  First principle dynamics and minimum energy paths of a mechanochromic spiropyran. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 239
Martínez TJ, Hudock HR, Virshup A, Yang S.  2007.  First principles molecular dynamics of electronically excited DNA and RNA bases. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 233:97–97.
Ufimtsev IS, Martínez TJ.  2009.  First principles molecular dynamics simulation of proteins on graphical processing units. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 237
Glover WJ, Martínez TJ.  2011.  First principles simulations of time resolved photoelectron spectroscopy: Nonadiabatic dynamics of photoexcited butadiene. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 242
Wang L-P, Van Voorhis T, Martínez TJ, Pande VS.  2013.  ForceBalance, a method for developing better force fields. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 246
Varganov SA, Ward NJ, Martínez TJ.  2010.  Geminal-augmented MCSCF for multi-electron systems. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 239
Isborn CM, Luehr N, Gour JR, Ufimtsev IS, Martínez TJ.  2011.  GPU accelerated QM and QM/MM calculation of CIS/TDDFT excited states. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 242
Martínez TJ, Coe JD.  2009.  The influence of intersection topography on excited state reactivity. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 238
Virshup AM, Chen J, Martínez TJ.  2009.  Nonlinear dimensionality reduction for reaction path discovery in ab initio multiple spawning dynamics. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 237
Martínez TJ.  2010.  Photochemistry of biological chromophores in solution and protein environments. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 239
Punwong C, Owens JM, Martínez TJ.  2007.  PHYS 114-Direct QM/MM simulations of the excited state dynamics of retinal protonated Schiff base in isolation and complex environments. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 234
Ufimtsev IS, Martínez TJ.  2008.  PHYS 125-Leveraging graphical processing units (GPUs) for quantum chemistry. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 235
Martínez TJ.  2008.  PHYS 164-Femtosecond time-resolved photoelectron spectroscopy from ab initio multiple spawning dynamics. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 236
Levine BG, Martínez TJ.  2007.  PHYS 197-Ab initio molecular dynamics of photoisomerization in cis-stilbene. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 234
Martínez TJ.  2009.  PHYS 1-Photochemistry and mechanochemistry from first principles dynamics. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 237
Punwong C, Martínez TJ.  2008.  PHYS 208-Photoinduced isomerization of retinal in complex environments. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 235

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