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Leif D Jacobson

Showing results (11-20 of 20) with videos related to

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Journal of Chemical Theory and Computation|March 19, 2026
Accurate Hydration Free Energy Calculations for Diverse Organic Molecules With a Machine Learning Force FieldXiaowei Xie, John L Weber, Mats Svensson, et al.
Journal of Chemical Theory and Computation|March 15, 2022
Transferable Neural Network Potential Energy Surfaces for Closed-Shell Organic Molecules: Extension to IonsLeif D Jacobson, James M Stevenson, Farhad Ramezanghorbani, et al.
Journal of Computer-Aided Molecular Design|August 25, 2020
Pattern-free generation and quantum mechanical scoring of ring-chain tautomersDaniel S Levine, Mark A Watson, Leif D Jacobson, et al.
Journal of Chemical Theory and Computation|February 24, 2026
An Accurate Charge-Aware Machine-Learning Interatomic Potential for the Reduction of Li-Ion Battery Electrolytes in SolutionYujing Wei, John L Weber, James M Stevenson, et al.
The Journal of Physical Chemistry. A|October 25, 2023
Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional ApproximationsSibali Debnath, Verena A Neufeld, Leif D Jacobson, et al.
The Journal of Physical Chemistry. B|August 16, 2022
High-Dimensional Neural Network Potential for Liquid Electrolyte SimulationsSteven Dajnowicz, Garvit Agarwal, James M Stevenson, et al.
Nature Communications|March 5, 2025
A robust crystal structure prediction method to support small molecule drug development with large scale validation and blind studyDong Zhou, Imanuel Bier, Biswajit Santra, et al.
Journal of Chemical Theory and Computation|September 29, 2017
Automated Transition State Search and Its Application to Diverse Types of Organic ReactionsLeif D Jacobson, Art D Bochevarov, Mark A Watson, et al.
The Journal of Chemical Physics|August 2, 2024
Quantum chemical package Jaguar: A survey of recent developments and unique featuresYixiang Cao, Ty Balduf, Michael D Beachy, et al.
The Journal of Chemical Physics|September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageEvgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
Pageof 2

Showing results (11-20 of 20) with videos related to

Sort By:
Pageof 2
You have reached the last page of results.This site can display upto 20 results.
Journal of Chemical Theory and Computation|March 19, 2026
Accurate Hydration Free Energy Calculations for Diverse Organic Molecules With a Machine Learning Force FieldXiaowei Xie, John L Weber, Mats Svensson, et al.
Journal of Chemical Theory and Computation|March 15, 2022
Transferable Neural Network Potential Energy Surfaces for Closed-Shell Organic Molecules: Extension to IonsLeif D Jacobson, James M Stevenson, Farhad Ramezanghorbani, et al.
Journal of Computer-Aided Molecular Design|August 25, 2020
Pattern-free generation and quantum mechanical scoring of ring-chain tautomersDaniel S Levine, Mark A Watson, Leif D Jacobson, et al.
Journal of Chemical Theory and Computation|February 24, 2026
An Accurate Charge-Aware Machine-Learning Interatomic Potential for the Reduction of Li-Ion Battery Electrolytes in SolutionYujing Wei, John L Weber, James M Stevenson, et al.
The Journal of Physical Chemistry. A|October 25, 2023
Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional ApproximationsSibali Debnath, Verena A Neufeld, Leif D Jacobson, et al.
The Journal of Physical Chemistry. B|August 16, 2022
High-Dimensional Neural Network Potential for Liquid Electrolyte SimulationsSteven Dajnowicz, Garvit Agarwal, James M Stevenson, et al.
Nature Communications|March 5, 2025
A robust crystal structure prediction method to support small molecule drug development with large scale validation and blind studyDong Zhou, Imanuel Bier, Biswajit Santra, et al.
Journal of Chemical Theory and Computation|September 29, 2017
Automated Transition State Search and Its Application to Diverse Types of Organic ReactionsLeif D Jacobson, Art D Bochevarov, Mark A Watson, et al.
The Journal of Chemical Physics|August 2, 2024
Quantum chemical package Jaguar: A survey of recent developments and unique featuresYixiang Cao, Ty Balduf, Michael D Beachy, et al.
The Journal of Chemical Physics|September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageEvgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
Pageof 2