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Chemistry

D-Index
102
Citations
36795
World Ranking
1169
National Ranking
461

Research.com Recognitions

  • 1999 - Fellow of Alfred P. Sloan Foundation

Overview

Todd J. Martínez is a researcher affiliated with Stanford University in the United States. Their academic work spans the fields of Physics and Astronomy as well as Chemistry, with a focused contribution to subfields including Atomic and Molecular Physics and Optics, Materials Chemistry, Physical and Theoretical Chemistry, Spectroscopy, and Molecular Biology.

Their research encompasses a range of topics such as Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Photochemistry and Electron Transfer Studies, Photoreceptor and Optogenetics Research, Machine Learning in Materials Science, Mass Spectrometry Techniques and Applications, and Quantum superfluid helium dynamics.

Martínez has published extensively in several venues, with frequent publications appearing in:

  • Zenodo (CERN European Organization for Nuclear Research)
  • The Journal of Chemical Physics
  • Journal of the American Chemical Society
  • Journal of Chemical Theory and Computation
  • arXiv (Cornell University)

Recent papers illustrate a focus on electronic structure methods, molecular dynamics, and ultrafast spectroscopy. Notable publications include:

  • "TeraChem: A graphical processing unit-accelerated electronic structure package for large-scale ab initio molecular dynamics," 2020, Wiley Interdisciplinary Reviews Computational Molecular Science
  • "Simultaneous observation of nuclear and electronic dynamics by ultrafast electron diffraction," 2020, Science
  • "TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units," 2020, The Journal of Chemical Physics
  • "Direct observation of ultrafast hydrogen bond strengthening in liquid water," 2021, Nature
  • "The cascade unzipping of ladderane reveals dynamic effects in mechanochemistry," 2020, Nature Chemistry

Collaborations are a significant part of Martínez's work. Frequent coauthors include:

  • David M. Sanchez
  • J. Pedro F. Nunes
  • Thomas Wolf
  • Nanna Holmgaard List
  • Edward G. Hohenstein

Martínez was recognized as a Fellow of the Alfred P. Sloan Foundation in 1999, an award acknowledging contributions to scientific research.

Best Publications

  • Force-induced activation of covalent bonds in mechanoresponsive polymeric materials

    Douglas A. Davis;Andrew Hamilton;Jinglei Yang;Jinglei Yang;Lee D. Cremar

  • Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics.

    Ivan S. Ufimtsev;Todd J. Martinez

  • Ab Initio Multiple Spawning: Photochemistry from First Principles Quantum Molecular Dynamics

    M. Ben-Nun;Jason Quenneville;Todd J. Martínez

  • Isomerization through conical intersections.

    Benjamin G. Levine;Todd J. Martínez

  • Conical intersections and double excitations in time-dependent density functional theory

    Benjamin G. Levine;Chaehyuk Ko;Jason Quenneville;Todd J. MartÍnez

  • Ab Initio Nonadiabatic Quantum Molecular Dynamics.

    Basile F. E. Curchod;Todd J. Martínez;Todd J. Martínez

  • Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation

    Ivan S Ufimtsev;Todd J Martínez

  • Building Force Fields: An Automatic, Systematic, and Reproducible Approach

    Lee-Ping Wang;Todd J. Martinez;Vijay S. Pande

  • A MHz-repetition-rate hard X-ray free-electron laser driven by a superconducting linear accelerator

    W. Decking;S. Abeghyan;P. Abramian;A. Abramsky

  • Ab Initio Quantum Molecular Dynamics

    Michal Ben‐Nun;Todd. J. Martínez

  • Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation.

    Ivan S. Ufimtsev;Todd J. Martinez

  • Optimizing conical intersections without derivative coupling vectors: application to multistate multireference second-order perturbation theory (MS-CASPT2).

    Benjamin G. Levine;Joshua D. Coe;Todd J. Martínez

  • Nonadiabatic molecular dynamics: Validation of the multiple spawning method for a multidimensional problem

    M. Ben-Nun;Todd J. Martı́nez

  • Multi-Electronic-State Molecular Dynamics: A Wave Function Approach with Applications

    Todd J. Martinez;M. Ben-Nun;R. D. Levine

  • Discovering chemistry with an ab initio nanoreactor

    Lee-Ping Wang;Alexey Titov;Alexey Titov;Robert McGibbon;Fang Liu

  • Generating Efficient Quantum Chemistry Codes for Novel Architectures

    Alexey V. Titov;Alexey V. Titov;Ivan S. Ufimtsev;Nathan Luehr;Todd J. Martinez

  • Ab Initio Molecular Dynamics and Time-Resolved Photoelectron Spectroscopy of Electronically Excited Uracil and Thymine

    Hanneli R Hudock;Benjamin G Levine;Alexis L Thompson;Helmut Satzger

  • Mechanism and dynamics of azobenzene photoisomerization.

    Thomas Schultz;Jason Quenneville;Benjamin Levine;Alessandro Toniolo

  • Systematic improvement of a classical molecular model of water.

    Lee Ping Wang;Teresa Head-Gordon;Jay W. Ponder;Pengyu Ren

  • Trapping a Diradical Transition State by Mechanochemical Polymer Extension

    Jeremy M. Lenhardt;Mitchell T. Ong;Robert Choe;Christian R. Evenhuis

Frequent Co-Authors

Philip H. Bucksbaum
Philip H. Bucksbaum SLAC National Accelerator Laboratory
Christoph Bostedt
Christoph Bostedt Paul Scherrer Institute
Kelly J. Gaffney
Kelly J. Gaffney SLAC National Accelerator Laboratory
Albert Stolow
Albert Stolow University of Ottawa
Henrik Koch
Henrik Koch Scuola Normale Superiore di Pisa
Francesco Tarantelli
Francesco Tarantelli University of Perugia
Stephen L. Craig
Stephen L. Craig Duke University
Raphael D. Levine
Raphael D. Levine Hebrew University of Jerusalem
Emily A. Carter
Emily A. Carter Princeton University

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