Leif D Jacobson

7PUBLICATIONS
26CO-AUTHORS
Computational chemistryElectrical circuits and systemsProgramming languagesFree radical chemistryChemical thermodynamics and energetics
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Journal

Publications (7)

|Mar 19, 2026
Accurate Hydration Free Energy Calculations for Diverse Organic Molecules With a Machine Learning Force Field.

Xiaowei Xie, John L Weber, Mats Svensson

|Feb 24, 2026
An Accurate Charge-Aware Machine-Learning Interatomic Potential for the Reduction of Li-Ion Battery Electrolytes in Solution.

Yujing Wei, John L Weber, James M Stevenson

|Aug 02, 2024
Quantum chemical package Jaguar: A survey of recent developments and unique features.

Yixiang Cao, Ty Balduf, Michael D Beachy

|Dec 12, 2023
Large Computational Survey of Intrinsic Reactivity of Aromatic Carbon Atoms with Respect to a Model Aldehyde Oxidase.

Daniel S Levine, Leif D Jacobson, Art D Bochevarov

|Oct 25, 2023
Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional Approximations.

Sibali Debnath, Verena A Neufeld, Leif D Jacobson

|Aug 16, 2022
High-Dimensional Neural Network Potential for Liquid Electrolyte Simulations.

Steven Dajnowicz, Garvit Agarwal, James M Stevenson

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Frequent Collaborators

4 joint publications

Richard A Friesner

3 joint publications

James M Stevenson

3 joint publications

John L Weber

2 joint publications

Edward D Harder