John L Weber

13PUBLICATIONS
24CO-AUTHORS
Computational chemistryRadiation and matterElectrical circuits and systemsTheoretical quantum chemistryElectronic and magnetic properties of condensed matter; superconductivity
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Publications (13)

|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

|Mar 03, 2026
Evaluating Multiconfigurational Trials for Accurate Phaseless Auxiliary-Field Quantum Monte Carlo on 3d Transition Metal Complexes.

Hung T Vuong, Ankit Mahajan, John L Weber

|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

|Jul 06, 2024
Scalable Ab Initio Electronic Structure Methods with Near Chemical Accuracy for Main Group Chemistry.

Yujing Wei, Sibali Debnath, John L Weber

|Oct 27, 2023
Expanding the Design Space of Constraints in Auxiliary-Field Quantum Monte Carlo.

John L Weber, Hung Vuong, Richard A Friesner

|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

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Frequent Collaborators

8 joint publications

James Shee

7 joint publications

Richard A Friesner

3 joint publications

Leif D Jacobson

3 joint publications

David R Reichman