1999 - Fellow of Alfred P. Sloan Foundation
His primary areas of study are Ab initio multiple spawning, Ab initio, Excited state, Molecular dynamics and Computational chemistry. His Ab initio multiple spawning research incorporates themes from Photochemistry and Photoisomerization. He has researched Ab initio in several fields, including Solvation, Quantum and Potential energy.
His biological study spans a wide range of topics, including Molecular physics, Perturbation theory and Femtosecond. Todd J. Martínez has researched Molecular dynamics in several fields, including Nanotechnology, Cyclobutene, Electronic structure, Basis set and Conrotatory and disrotatory. The concepts of his Computational chemistry study are interwoven with issues in Ab initio quantum chemistry methods and Chromophore.
His main research concerns Excited state, Atomic physics, Ab initio multiple spawning, Ab initio and Molecular physics. His Excited state research is multidisciplinary, incorporating perspectives in Excitation, Potential energy, Chromophore and Ground state. His Atomic physics research includes themes of Ultrashort pulse, Spectroscopy, Ionization and Femtosecond.
The study incorporates disciplines such as Perturbation theory, Complete active space and Photoisomerization in addition to Ab initio multiple spawning. In his study, which falls under the umbrella issue of Ab initio, Density functional theory is strongly linked to Electronic structure. In his research on the topic of Molecular physics, Electron is strongly related with Molecule.
His scientific interests lie mostly in Excited state, Molecular physics, Ground state, Ab initio and Ab initio multiple spawning. His Excited state research incorporates themes from Statistical physics, Excitation and Isomerization, Photoisomerization. The Molecular physics study combines topics in areas such as Ion, Dication, Acetylene, Conical intersection and Absorption spectroscopy.
His study on Ground state is covered under Atomic physics. His Ab initio research includes elements of Chemical physics, Force field, Molecular dynamics, Nitromethane and Molecule. His research investigates the link between Ab initio multiple spawning and topics such as Intramolecular force that cross with problems in Hydrogen bond and Quantum yield.
Molecular physics, Excited state, Ground state, Molecule and Graphical processing unit are his primary areas of study. His Molecular physics research is multidisciplinary, incorporating elements of Relaxation, Conical intersection, X-ray photoelectron spectroscopy, Intersystem crossing and Ultrafast electron diffraction. His work is dedicated to discovering how Intersystem crossing, X-ray absorption spectroscopy are connected with Ab initio multiple spawning and other disciplines.
His Excited state study combines topics from a wide range of disciplines, such as Thymine, Atomic electron transition, Quantum and Classical mechanics. Todd J. Martínez regularly ties together related areas like Computational chemistry in his Molecule studies. His study in Quantum computer is interdisciplinary in nature, drawing from both Ab initio and Computation.
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Force-induced activation of covalent bonds in mechanoresponsive polymeric materials
Douglas A. Davis;Andrew Hamilton;Jinglei Yang;Jinglei Yang;Lee D. Cremar.
Nature (2009)
Isomerization through conical intersections.
Benjamin G. Levine;Todd J. Martínez.
Annual Review of Physical Chemistry (2007)
Ab Initio Multiple Spawning: Photochemistry from First Principles Quantum Molecular Dynamics
M. Ben-Nun;Jason Quenneville;Todd J. Martínez.
Journal of Physical Chemistry A (2000)
Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics.
Ivan S. Ufimtsev;Todd J. Martinez.
Journal of Chemical Theory and Computation (2009)
Conical intersections and double excitations in time-dependent density functional theory
Benjamin G. Levine;Chaehyuk Ko;Jason Quenneville;Todd J. MartÍnez.
Molecular Physics (2006)
Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation
Ivan S Ufimtsev;Todd J Martínez.
Journal of Chemical Theory and Computation (2008)
Ab Initio Quantum Molecular Dynamics
Michal Ben‐Nun;Todd. J. Martínez.
(2002)
Nonadiabatic molecular dynamics: Validation of the multiple spawning method for a multidimensional problem
M. Ben-Nun;Todd J. Martı́nez.
Journal of Chemical Physics (1998)
Multi-Electronic-State Molecular Dynamics: A Wave Function Approach with Applications
Todd J. Martinez;M. Ben-Nun;R. D. Levine.
The Journal of Physical Chemistry (1996)
Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation.
Ivan S. Ufimtsev;Todd J. Martinez.
Journal of Chemical Theory and Computation (2009)
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