Todd J Martinez (Todd J Martínez, T J Martínez, T J Martinez, Todd Martínez, Todd Martinez)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 123

Top Venues

The Journal of chemical physics

Journal of chemical theory and computation

Journal of the American Chemical Society

The journal of physical chemistry. A

SLAC National Accelerator Laboratory

UCLA (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

SLAC National Accelerator Laboratory Jan 01 2009

United States

Professor :: Photon Science

Stanford University Jan 01 2009

United States

Professor :: Chemistry

University of Illinois Aug 01 1996 - Dec 31 2008

United States

Professor :: Chemistry

University of Illinois Aug 01 1996 - Dec 31 2008

United States

Professor :: Chemistry

Education History

UCLA Sep 01 1989 - Sep 01 1994

United States

PHD :: Chemistry

Calvin College Sep 01 1985 - Aug 01 1989

United States

BSC :: Chemistry

Publications

Nanna Holmgaard List, Chey M Jones, Todd J Martinez
Chemical control of excited-state reactivity of the anionic green fluorescent protein chromophore. Communications chemistry 7 (1) (2024)
Nanna Holmgaard List, Chey M Jones, Todd J Martinez
Chemical control of excited-state reactivity of the anionic green fluorescent protein chromophore. Communications chemistry 7 (1) (2024)
Andreas Erbs Hillers-Bendtsen, Kurt V Mikkelsen, Todd J Martinez
Tensor Hypercontraction of Cluster Perturbation Theory: Quartic Scaling Perturbation Series for the Coupled Cluster Singles and Doubles Ground-State Energies. Journal of chemical theory and computation (2024)
Joao Pedro Figueira Nunes, M Williams, J Yang, T J A Wolf, Conor D Rankine, Robert M Parrish, B Moore, K Wilkin, X Shen, Ming-Fu Lin, K Hegazy, R Li, S Weathersby, Todd J Martinez, X J Wang, Martin Centurion
Photo-induced structural dynamics of o -nitrophenol by ultrafast electron diffraction. Physical chemistry chemical physics : PCCP (2024)
Diptarka Hait, Todd J Martinez
Predicting the X-ray Absorption Spectrum of Ozone with Single Configuration State Functions. Journal of chemical theory and computation (2024)
Andreas Erbs Hillers-Bendtsen, Kurt V Mikkelsen, Todd J Martinez
Tensor Hypercontraction of Cluster Perturbation Theory: Quartic Scaling Perturbation Series for the Coupled Cluster Singles and Doubles Ground-State Energies. Journal of chemical theory and computation 20 (5) (2024)
Joao Pedro Figueira Nunes, M Williams, J Yang, T J A Wolf, Conor D Rankine, Robert M Parrish, B Moore, K Wilkin, X Shen, Ming-Fu Lin, K Hegazy, R Li, S Weathersby, Todd J Martinez, X J Wang, Martin Centurion
Photo-induced structural dynamics of o -nitrophenol by ultrafast electron diffraction. Physical chemistry chemical physics : PCCP 26 (26) (2024)
Joao Pedro Figueira Nunes, M Williams, J Yang, T J A Wolf, Conor D Rankine, Robert M Parrish, B Moore, K Wilkin, X Shen, Ming-Fu Lin, K Hegazy, R Li, S Weathersby, Todd J Martinez, X J Wang, Martin Centurion
Photo-induced structural dynamics of o -nitrophenol by ultrafast electron diffraction. Physical chemistry chemical physics : PCCP 26 (26) (2024)
Nanna Holmgaard List, Chey M Jones, Todd J Martinez
Chemical control of excited-state reactivity of the anionic green fluorescent protein chromophore. Communications chemistry 7 (1) (2024)
Nanna Holmgaard List, Chey M Jones, Todd J Martinez
Chemical control of excited-state reactivity of the anionic green fluorescent protein chromophore. Communications chemistry 7 (1) (2024)
Diptarka Hait, Todd J Martinez
Predicting the X-ray Absorption Spectrum of Ozone with Single Configuration State Functions. Journal of chemical theory and computation 20 (2) (2024)
Yusong Liu, David M Sanchez, M R Ware, E G Champenois, J Yang, J P F Nunes, A Attar, Martin Centurion, James P Cryan, Ruaridh J G Forbes, K Hegazy, Matthias C Hoffmann, F Ji, Ming-Fu Lin, Duan Luo, Sajib Kumar Saha, Xiaozhe Shen, Xijie J Wang, Todd J Martinez, Thomas J A Wolf
Rehybridization dynamics into the pericyclic minimum of an electrocyclic reaction imaged in real-time. Nature communications 14 (1) (2023)
Yusong Liu, David M Sanchez, M R Ware, E G Champenois, J Yang, J P F Nunes, A Attar, Martin Centurion, James P Cryan, Ruaridh J G Forbes, K Hegazy, Matthias C Hoffmann, F Ji, Ming-Fu Lin, Duan Luo, Sajib Kumar Saha, Xiaozhe Shen, Xijie J Wang, Todd J Martinez, Thomas J A Wolf
Rehybridization dynamics into the pericyclic minimum of an electrocyclic reaction imaged in real-time. Nature communications 14 (1) (2023)
Lihong Liu, Wei-Hai Fang, Todd J Martinez
A Nitrogen Out-of-Plane (NOOP) Mechanism for Imine-Based Light-Driven Molecular Motors. Journal of the American Chemical Society (2023)
Michele Ceriotti, Lasse Jensen, David E Manolopoulos, Todd J Martinez, David R Reichman, Francesco Sciortino, C David Sherrill, Qiang Shi, Carlos Vega, Lai-Sheng Wang, Emily Allyn Weiss, Xiaoyang Zhu, Jennifer L Stein, Tianquan Lian
2021 JCP Emerging Investigator Special Collection. The Journal of chemical physics 158 (6) (2023)
Matías Horst, Jan Meisner, Jinghui Yang, Tatiana B Kouznetsova, Stephen L Craig, Todd J Martinez, Yan Xia
Mechanochemistry of Pterodactylane. Journal of the American Chemical Society 146 (1) (2023)
Matías Horst, Jan Meisner, Jinghui Yang, Tatiana B Kouznetsova, Stephen L Craig, Todd J Martinez, Yan Xia
Mechanochemistry of Pterodactylane. Journal of the American Chemical Society 146 (1) (2023)
Bhaskar Rana, Edward G Hohenstein, Todd J Martinez
Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning. The journal of physical chemistry. A (2023)
David M G Williams, Eirik F Kjønstad, Todd J Martinez
Geometric phase in coupled cluster theory. The Journal of chemical physics 158 (21) (2023)
Yusong Liu, David M Sanchez, M R Ware, E G Champenois, J Yang, J P F Nunes, A Attar, Martin Centurion, James P Cryan, Ruaridh J G Forbes, K Hegazy, Matthias C Hoffmann, F Ji, Ming-Fu Lin, Duan Luo, Sajib Kumar Saha, Xiaozhe Shen, Xijie J Wang, Todd J Martinez, Thomas J A Wolf
Rehybridization dynamics into the pericyclic minimum of an electrocyclic reaction imaged in real-time. Nature communications 14 (1) (2023)
Bhaskar Rana, Edward G Hohenstein, Todd J Martinez
Simulating the Excited-State Dynamics of Polaritons with Ab Initio Multiple Spawning. The journal of physical chemistry. A 128 (1) (2023)
Soren Holm, Pablo A Unzueta, Keiran C Thompson, Todd J Martinez
Single-Point Extrapolation to the Complete Basis Set Limit through Deep Learning. Journal of chemical theory and computation (2023)
Alexander M Chang, Jan Meisner, Rui Xu, Todd J Martinez
Efficient Acceleration of Reaction Discovery in the Ab Initio Nanoreactor: Phenyl Radical Oxidation Chemistry. The journal of physical chemistry. A (2023)
Christoph Bannwarth, Todd J Martinez
SQMBox: Interfacing a semiempirical integral library to modular ab initio electronic structure enables new semiempirical methods. The Journal of chemical physics 158 (7) (2023)
Rui Xu, Jan Meisner, Alexander M Chang, Keiran C Thompson, Todd J Martinez
First principles reaction discovery: from the Schrodinger equation to experimental prediction for methane pyrolysis. Chemical science 14 (27) (2023)
Vinícius Wilian D Cruzeiro, Yuanheng Wang, Elisa Pieri, Edward G Hohenstein, Todd J Martinez
TeraChem protocol buffers (TCPB): Accelerating QM and QM/MM simulations with a client-server model. The Journal of chemical physics 158 (4) (2023)
Matías Horst, Jan Meisner, Jinghui Yang, Tatiana B Kouznetsova, Stephen L Craig, Todd J Martinez, Yan Xia
Mechanochemistry of Pterodactylane. Journal of the American Chemical Society (2023)
Matías Horst, Jan Meisner, Jinghui Yang, Tatiana B Kouznetsova, Stephen L Craig, Todd J Martinez, Yan Xia
Mechanochemistry of Pterodactylane. Journal of the American Chemical Society 146 (1) (2023)
Yasmin Shamsudin, Alice R Walker, Chey M Jones, Todd J Martinez, Steven G Boxer
Simulation-guided engineering of split GFPs with efficient β-strand photodissociation. Nature communications 14 (1) (2023)
Yusong Liu, David M Sanchez, M R Ware, E G Champenois, J Yang, J P F Nunes, A Attar, Martin Centurion, James P Cryan, Ruaridh J G Forbes, K Hegazy, Matthias C Hoffmann, F Ji, Ming-Fu Lin, Duan Luo, Sajib Kumar Saha, Xiaozhe Shen, Xijie J Wang, Todd J Martinez, Thomas J A Wolf
Rehybridization dynamics into the pericyclic minimum of an electrocyclic reaction imaged in real-time. Nature communications 14 (1) (2023)
K Grace Johnson, Seema Mirchandaney, Ellis Hoag, Alan Heirich, Alex Aiken, Todd J Martinez
Multinode Multi-GPU Two-Electron Integrals: Code Generation Using the Regent Language. Journal of chemical theory and computation 18 (11) (2022)
Lucas M Cornetta, Todd J Martinez, Marcio T do N Varella
Dissociative electron attachment to 5-bromo-uracil: non-adiabatic dynamics on complex-valued potential energy surfaces. Physical chemistry chemical physics : PCCP 24 (11) (2022)
Umberto Raucci, Hayley Weir, Christoph Bannwarth, David M Sanchez, Todd J Martinez
Chiral photochemistry of achiral molecules. Nature communications 13 (1) (2022)
Michele Ceriotti, Lasse Jensen, David E Manolopoulos, Todd J Martinez, Angelos Michaelides, Jennifer P Ogilvie, David R Reichman, Qiang Shi, John E Straub, Carlos Vega, Lai-Sheng Wang, Emily Allyn Weiss, Xiaoyang Zhu, Jennifer L Stein, Tianquan Lian
2020 JCP Emerging Investigator Special Collection. The Journal of chemical physics 155 (23) (2022)
Yuanheng Wang, Stefan Seritan, Dean Lahana, Jason E Ford, Alessio Valentini, Edward G Hohenstein, Todd J Martinez
InteraChem: Exploring Excited States in Virtual Reality with Ab Initio Interactive Molecular Dynamics. Journal of chemical theory and computation 18 (6) (2022)
Chey M Jones, Nanna Holmgaard List, Todd J Martinez
Steric and Electronic Origins of Fluorescence in GFP and GFP-like Proteins. Journal of the American Chemical Society 144 (28) (2022)
Friedrich Stricker, David M Sanchez, Umberto Raucci, Neil D Dolinski, Manuel S Zayas, Jan Meisner, Craig J Hawker, Todd J Martinez, Javier Read de Alaniz
A multi-stage single photochrome system for controlled photoswitching responses. Nature chemistry 14 (8) (2022)
Sukolsak Sakshuwong, Hayley Weir, Umberto Raucci, Todd J Martinez
Bringing chemical structures to life with augmented reality, machine learning, and quantum chemistry. The Journal of chemical physics 156 (20) (2022)
Umberto Raucci, David M Sanchez, Todd J Martinez, Michele Parrinello
Enhanced Sampling Aided Design of Molecular Photoswitches. Journal of the American Chemical Society 144 (42) (2022)
Elisa Pieri, Dean Lahana, Alexander M Chang, Cody R Aldaz, Keiran C Thompson, Todd J Martinez
The non-adiabatic nanoreactor: towards the automated discovery of photochemistry. Chemical science 12 (21) (2021)
Hayley Weir, Keiran C Thompson, Amelia Woodward, Benjamin Choi, Augustin Braun, Todd J Martinez
ChemPix: automated recognition of hand-drawn hydrocarbon structures using deep learning. Chemical science 12 (31) (2021)
Jie Yang, Riccardo Dettori, Joao Pedro Figueira Nunes, Nanna Holmgaard List, Elisa Biasin, Martin Centurion, Zhijiang Chen, Amy A Cordones, Daniel P Deponte, Tony F Heinz, Michael E Kozina, Kathryn Ledbetter, Ming-Fu Lin, Aaron M Lindenberg, Mianzhen Mo, Anders Nilsson, Xiaozhe Shen, Thomas J A Wolf, Davide Donadio, Kelly J Gaffney, Todd J Martinez, Xijie J Wang
Direct observation of ultrafast hydrogen bond strengthening in liquid water. Nature 596 (7873) (2021)
Jason Ford, Stefan Seritan, Xiao-Lei Zhu, Michael N Sakano, Md Mahbubul Islam, Alejandro Strachan, Todd J Martinez
Nitromethane Decomposition via Automated Reaction Discovery and an Ab Initio Corrected Kinetic Model. The journal of physical chemistry. A 125 (7) (2021)
Yun Liu, Soren Holm, Jan Meisner, Yuan Jia, Qiong Wu, Toby J Woods, Todd J Martinez, Jeffrey S Moore
Flyby reaction trajectories: Chemical dynamics under extrinsic force. Science (New York, N.Y.) 373 (6551) (2021)
Umberto Raucci, Alessio Valentini, Elisa Pieri, Hayley Weir, Stefan Seritan, Todd J Martinez
Voice-controlled quantum chemistry. Nature computational science 1 (1) (2021)
Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick, Jiyoung Lee, Asem Alenaizan, Taylor A Barnes, Carlos H Borca, Roberto Di Remigio, David L Dotson, Sebastian Ehlert, Alexander G Heide, Michael F Herbst, Jan Hermann, Colton B Hicks, Joshua T Horton, Adrian G Hurtado, Peter Kraus, Holger Kruse, Sebastian J R Lee, Jonathon P Misiewicz, Levi N Naden, Farhad Ramezanghorbani, Maximilian Scheurer, Jeffrey B Schriber, Andrew C Simmonett, Johannes Steinmetzer, Jeffrey R Wagner, Logan Ward, Matthew Welborn, Doaa Altarawy, Jamshed Anwar, John D Chodera, Andreas Dreuw, Heather J Kulik, Fang Liu, Todd J Martinez, Devin A Matthews, Henry F Schaefer, Jiřı Šponer, Justin M Turney, Lee-Ping Wang, Nuwan De Silva, Rollin A King, John F Stanton, Mark S Gordon, Theresa L Windus, C David Sherrill, Lori A Burns
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs. The Journal of chemical physics 155 (20) (2021)
Chenchen Song, Todd J Martinez, Jeffrey B Neaton
A diagrammatic approach for automatically deriving analytical gradients of tensor hyper-contracted electronic structure methods. The Journal of chemical physics 155 (2) (2021)
Edward G Hohenstein, Jimmy K Yu, Christoph Bannwarth, Nanna Holmgaard List, Alexander C Paul, Sarai Dery Folkestad, Eirik F Kjønstad, Todd J Martinez
Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole-Hole Tamm-Dancoff-Approximated Density Functional Theory. Journal of chemical theory and computation 17 (11) (2021)
Margaux M Pinney, Daniel A Mokhtari, Eyal Akiva, Filip Yabukarski, David M Sanchez, Ruibin Liang, Tzanko I Doukov, Todd J Martinez, Patricia C Babbitt, Daniel Herschlag
Parallel molecular mechanisms for enzyme temperature adaptation. Science (New York, N.Y.) 371 (6533) (2021)
Matías Horst, Jinghui Yang, Jan Meisner, Tatiana B Kouznetsova, Todd J Martinez, Stephen L Craig, Yan Xia
Understanding the Mechanochemistry of Ladder-Type Cyclobutane Mechanophores by Single Molecule Force Spectroscopy. Journal of the American Chemical Society 143 (31) (2021)
Chey M Jones, Nanna Holmgaard List, Todd J Martinez
Resolving the ultrafast dynamics of the anionic green fluorescent protein chromophore in water. Chemical science 12 (34) (2021)
C David Sherrill, David E Manolopoulos, Todd J Martinez, Michele Ceriotti, Angelos Michaelides
Chemical physics software. The Journal of chemical physics 155 (1) (2021)
Elio G Champenois, David M Sanchez, Jie Yang, Joao Pedro Figueira Nunes, Andrew R Attar, Martin Centurion, Ruaridh J G Forbes, M Gühr, Kareem Hegazy, F Ji, S K Saha, Yusong Liu, Ming-Fu Lin, Duan Luo, Bryan Moore, Xiaozhe Shen, M R Ware, Xijie J Wang, Todd J Martinez, Thomas J A Wolf
Conformer-specific photochemistry imaged in real space and time. Science (New York, N.Y.) 374 (6564) (2021)
Thomas J A Wolf, Alexander C Paul, Sarai D Folkestad, Rolf H Myhre, James P Cryan, Nora Berrah, Phil H Bucksbaum, Sonia Coriani, Giacomo Coslovich, Raimund Feifel, Todd J Martinez, Stefan P Moeller, Melanie Mucke, Razib Obaid, Oksana Plekan, Richard J Squibb, Eirik F Kjønstad, Markus Gühr
Transient resonant Auger-Meitner spectra of photoexcited thymine. Faraday discussions 228 (0) (2021)
Monika Williams, Ruaridh J G Forbes, Hayley Weir, Kévin Veyrinas, Ryan J MacDonell, Andrey E Boguslavskiy, Michael S Schuurman, Albert Stolow, Todd J Martinez
Unmasking the cis-Stilbene Phantom State via Vacuum Ultraviolet Time-Resolved Photoelectron Spectroscopy and Ab Initio Multiple Spawning. The journal of physical chemistry letters 12 (27) (2021)
Houlong Zhuang, John A Keith, Todd J Martinez
A Tribute to Emily A. Carter. The journal of physical chemistry. A 125 (8) (2021)
Mark D Ediger, Lasse Jensen, David E Manolopoulos, Todd J Martinez, Angelos Michaelides, David R Reichman, C David Sherrill, Qiang Shi, John E Straub, Carlos Vega, Lai-Sheng Wang, Erinn C Brigham, Tianquan Lian
JCP Emerging Investigator Special Collection 2019. The Journal of chemical physics 153 (11) (2021)
Nanna Holmgaard List, Chey M Jones, Todd J Martinez
Internal conversion of the anionic GFP chromophore: in and out of the I-twisted S 1 /S 0 conical intersection seam. Chemical science 13 (2) (2021)
Ruibin Liang, Jimmy K Yu, Jan Meisner, Fang Liu, Todd J Martinez
Electrostatic Control of Photoisomerization in Channelrhodopsin 2. Journal of the American Chemical Society 143 (14) (2021)
Cameron L Brown, Brandon H Bowser, Jan Meisner, Tatiana B Kouznetsova, Stefan Seritan, Todd J Martinez, Stephen L Craig
Substituent Effects in Mechanochemical Allowed and Forbidden Cyclobutene Ring-Opening Reactions. Journal of the American Chemical Society 143 (10) (2021)
David M Sanchez, Umberto Raucci, Todd J Martinez
In Silico Discovery of Multistep Chemistry Initiated by a Conical Intersection: The Challenging Case of Donor-Acceptor Stenhouse Adducts. Journal of the American Chemical Society 143 (48) (2021)
Jana L van den Berg, Kallie Ilene Neumann, John A Harrison, Hayley Weir, Edward G Hohenstein, Todd J Martinez, Richard N Zare
Strong, Nonresonant Radiation Enhances Cis-Trans Photoisomerization of Stilbene in Solution. The journal of physical chemistry. A 124 (29) (2020)
Stefan Seritan, Keiran C Thompson, Todd J Martinez
TeraChem Cloud: A High-Performance Computing Service for Scalable Distributed GPU-Accelerated Electronic Structure Calculations. Journal of chemical information and modeling 60 (4) (2020)
B Scott Fales, Todd J Martinez
Fast transformations between configuration state function and Slater determinant bases for direct configuration interaction. The Journal of chemical physics 152 (16) (2020)
Cody R Aldaz, Todd J Martinez, Paul M Zimmerman
The Mechanics of the Bicycle Pedal Photoisomerization in Crystalline cis,cis-1,4-Diphenyl-1,3-butadiene. The journal of physical chemistry. A 124 (43) (2020)
Hayley Weir, Monika Williams, Robert M Parrish, Edward G Hohenstein, Todd J Martinez
Nonadiabatic Dynamics of Photoexcited cis-Stilbene Using Ab Initio Multiple Spawning. The journal of physical chemistry. B 124 (26) (2020)
Jimmy K Yu, Christoph Bannwarth, Ruibin Liang, Edward G Hohenstein, Todd J Martinez
Nonadiabatic Dynamics Simulation of the Wavelength-Dependent Photochemistry of Azobenzene Excited to the nπ* and ππ* Excited States. Journal of the American Chemical Society 142 (49) (2020)
D M Sanchez, Umberto Raucci, K N Ferreras, Todd J Martinez
Putting Photomechanical Switches to Work: An Ab Initio Multiple Spawning Study of Donor-Acceptor Stenhouse Adducts. The journal of physical chemistry letters 11 (18) (2020)
Jie Yang, Xiao-Lei Zhu, Joao Pedro Figueira Nunes, Jimmy K Yu, Robert M Parrish, Thomas J A Wolf, Martin Centurion, Markus Gühr, Renkai Li, Yusong Liu, Bryan Moore, Mario Niebuhr, Su Ji Park, Xiaozhe Shen, Stephen Weathersby, Thomas Weinacht, Todd J Martinez, Xijie J Wang
Simultaneous observation of nuclear and electronic dynamics by ultrafast electron diffraction. Science (New York, N.Y.) 368 (6493) (2020)
Nanna Holmgaard List, Adrian L Dempwolff, Andreas Dreuw, Patrick Norman, Todd J Martinez
Probing competing relaxation pathways in malonaldehyde with transient X-ray absorption spectroscopy. Chemical science 11 (16) (2020)
Basile F E Curchod, William J Glover, Todd J Martinez
SSAIMS-Stochastic-Selection Ab Initio Multiple Spawning for Efficient Nonadiabatic Molecular Dynamics. The journal of physical chemistry. A 124 (30) (2020)
Zhixing Chen, Xiao-Lei Zhu, Jinghui Yang, Jaron A M Mercer, Noah Z Burns, Todd J Martinez, Yan Xia
The cascade unzipping of ladderane reveals dynamic effects in mechanochemistry. Nature chemistry 12 (3) (2020)
Hong-Guang Duan, Ajay Jha, Xin Li, Vandana Tiwari, Hanyang Ye, Pabitra K Nayak, Xiao-Lei Zhu, Zheng Li, Todd J Martinez, Michael Thorwart, R J Dwyane Miller
Intermolecular vibrations mediate ultrafast singlet fission. Science advances 6 (38) (2020)
B Scott Fales, Todd J Martinez
Efficient Treatment of Large Active Spaces through Multi-GPU Parallel Implementation of Direct Configuration Interaction. Journal of chemical theory and computation 16 (3) (2020)
Dmitry A Fedorov, Stefan Seritan, B Scott Fales, Todd J Martinez, Benjamin G Levine
PySpawn: Software for Nonadiabatic Quantum Molecular Dynamics. Journal of chemical theory and computation 16 (9) (2020)
B Scott Fales, Ethan R Curtis, K Grace Johnson, Dean Lahana, Stefan Seritan, Yuanheng Wang, Hayley Weir, Todd J Martinez, Edward G Hohenstein
Performance of Coupled-Cluster Singles and Doubles on Modern Stream Processing Architectures. Journal of chemical theory and computation 16 (7) (2020)
Jimmy K Yu, Christoph Bannwarth, Edward G Hohenstein, Todd J Martinez
Ab Initio Nonadiabatic Molecular Dynamics with Hole-Hole Tamm-Dancoff Approximated Density Functional Theory. Journal of chemical theory and computation 16 (9) (2020)
Chenchen Song, Todd J Martinez
Reduced scaling extended multi-state CASPT2 (XMS-CASPT2) using supporting subspaces and tensor hyper-contraction. The Journal of chemical physics 152 (23) (2020)
C David Sherrill, David E Manolopoulos, Todd J Martinez, Angelos Michaelides
Electronic structure software. The Journal of chemical physics 153 (7) (2020)
Joseph E Thomaz, Alice R Walker, Stephen J Van Wyck, Jan Meisner, Todd J Martinez, Michael D Fayer
Proton Transfer Dynamics in the Aprotic Proton Accepting Solvent 1-Methylimidazole. The journal of physical chemistry. B 124 (36) (2020)
Benoît Mignolet, Basile F E Curchod, Françoise Remacle, Todd J Martinez
Sub-Femtosecond Stark Control of Molecular Photoexcitation with Near Single-Cycle Pulses. The journal of physical chemistry letters 10 (4) (2019)
Blake A Erickson, Zachary N Heim, Elisa Pieri, Erica Liu, Todd J Martinez, Daniel M Neumark
Relaxation Dynamics of Hydrated Thymine, Thymidine, and Thymidine Monophosphate Probed by Liquid Jet Time-Resolved Photoelectron Spectroscopy. The journal of physical chemistry. A 123 (50) (2019)
Jimmy K Yu, Ruibin Liang, Fang Liu, Todd J Martinez
First-Principles Characterization of the Elusive I Fluorescent State and the Structural Evolution of Retinal Protonated Schiff Base in Bacteriorhodopsin. Journal of the American Chemical Society 141 (45) (2019)
Thomas J A Wolf, Robert M Parrish, Rolf H Myhre, Todd J Martinez, Eirik F Kjønstad, Markus Gühr
Observation of Ultrafast Intersystem Crossing in Thymine by Extreme Ultraviolet Time-Resolved Photoelectron Spectroscopy. The journal of physical chemistry. A 123 (32) (2019)
C Punwong, S Hannongbua, Todd J Martinez
Electrostatic Influence on Photoisomerization in Bacteriorhodopsin and Halorhodopsin. The journal of physical chemistry. B 123 (23) (2019)
Robert M Parrish, Todd J Martinez
Ab Initio Computation of Rotationally-Averaged Pump-Probe X-ray and Electron Diffraction Signals. Journal of chemical theory and computation 15 (3) (2019)
Edward G Hohenstein, Yao Zhao, Robert M Parrish, Todd J Martinez
Rank reduced coupled cluster theory. II. Equation-of-motion coupled-cluster singles and doubles. The Journal of chemical physics 151 (16) (2019)
Henry Timmers, Xiao-Lei Zhu, Zheng Li, Yuki Kobayashi, Mazyar Sabbar, Maximilian Hollstein, Maurizio Reduzzi, Todd J Martinez, Daniel M Neumark, Stephen R Leone
Disentangling conical intersection and coherent molecular dynamics in methyl bromide with attosecond transient absorption spectroscopy. Nature communications 10 (1) (2019)
Takahiro Kosuge, Xiaolei Zhu, Vivian M Lau, Daisuke Aoki, Todd J Martinez, Jeffrey S Moore, Hideyuki Otsuka
Multicolor Mechanochromism of a Polymer/Silica Composite with Dual Distinct Mechanophores. Journal of the American Chemical Society 141 (5) (2019)
Michael N R Ashfold, Jon Bender, Eric Bittner, Jeffrey Cina, Maurizio Persico, Natércia das Neves Rodrigues, Jahan Dawlaty, Ryan Dill, Amro Dodin, Marta Duchi, Laura Estergreen, Gregory Gate, James Gaynor, Naomi Ginsberg, Christopher Grieco, Sharon Hammes-Schiffer, Vanessa Huxter, Shawn Irgen-Gioro, Jimmy Joy, Bern Kohler, Nadia Korovina, Johannes Mahl, Andrew Marcus, Todd J Martinez, Karen Morenz, Amanda J Morris, Jennifer Ogilvie, Thomas A A Oliver, Tom Penfold, Petter Persson, Trevor Roberts, Benjamin Schwartz, Yin Song, Mark Thompson, Michael Wasielewski, Emily Weiss, Kristopher Williams
Photovoltaics and bio-inspired light harvesting: general discussion. Faraday discussions 216 (0) (2019)
Michael N R Ashfold, Shuming Bai, Stephen Bradforth, Pavel Chàbera, Jeffrey Cina, Maurizio Persico, Natércia das Neves Rodrigues, Marta Duchi, Graham Fleming, Christopher Grieco, Scott Habershon, Michael Haggmark, Sharon Hammes-Schiffer, Shou-Ting Hsieh, Bern Kohler, Heiko Lokstein, Andrew Marcus, Todd J Martinez, Spiridoula Matsika, Thomas A A Oliver, Luis Ortiz-Rodríguez, Tomas Polivka, Minjung Son, Vasilios Stavros, Collin J Steen, Matthew Turner, Peter Jomo Walla, Jack Woolley
Photo-protection/photo-damage in natural systems: general discussion. Faraday discussions 216 (0) (2019)
Benjamin Thomson, Johan Both, Yufan Wu, Robert M Parrish, Todd J Martinez, Steven G Boxer
Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation. The journal of physical chemistry. B 123 (23) (2019)
Ruibin Liang, Fang Liu, Todd J Martinez
Nonadiabatic Photodynamics of Retinal Protonated Schiff Base in Channelrhodopsin 2. The journal of physical chemistry letters 10 (11) (2019)
Stéphanie Valleau, Todd J Martinez
Reaction Dynamics of Cyanohydrins with Hydrosulfide in Water. The journal of physical chemistry. A 123 (33) (2019)
Thomas J A Wolf, David M Sanchez, J Yang, R M Parrish, J P F Nunes, M Centurion, R Coffee, J P Cryan, M Gühr, Kareem Hegazy, Adam Kirrander, R K Li, J Ruddock, Xiaozhe Shen, T Vecchione, S P Weathersby, Peter M Weber, K Wilkin, Haiwang Yong, Q Zheng, Xijie J Wang, Michael P Minitti, Todd J Martinez
The photochemical ring-opening of 1,3-cyclohexadiene imaged by ultrafast electron diffraction. Nature chemistry 11 (6) (2019)
Chenchen Song, Todd J Martinez
Reduced scaling CASPT2 using supporting subspaces and tensor hyper-contraction. The Journal of chemical physics 149 (4) (2018)
James W Snyder, B Scott Fales, Edward G Hohenstein, Benjamin G Levine, Todd J Martinez
A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units. The Journal of chemical physics 146 (17) (2018)
Andrey E Boguslavskiy, Oliver Schalk, Niklas Gador, William J Glover, Toshifumi Mori, Thomas Schultz, Michael S Schuurman, Todd J Martinez, Albert Stolow
Excited state non-adiabatic dynamics of the smallest polyene, trans 1,3-butadiene. I. Time-resolved photoelectron-photoion coincidence spectroscopy. The Journal of chemical physics 148 (16) (2018)
Michael Filatov, Fang Liu, Todd J Martinez
Analytical derivatives of the individual state energies in ensemble density functional theory method. I. General formalism. The Journal of chemical physics 147 (3) (2018)
Todd J Martinez
Ab Initio Reactive Computer Aided Molecular Design. Accounts of chemical research 50 (3) (2018)

Todd J Martinez.css-eqlu8i{font-size:small;padding-left:4px;} (Todd J Martínez, T J Martínez, T J Martinez, Todd Martínez, Todd Martinez)

Publication Activity (10 Years)

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Todd J Martinez (Todd J Martínez, T J Martínez, T J Martinez, Todd Martínez, Todd Martinez)