William J Baldwin

6PUBLICATIONS
88CO-AUTHORS
Electrical energy generation (incl. renewables, excl. photovoltaics)Computational chemistryTheoretical quantum chemistryOrganic semiconductorsEvolutionary computation
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Publications (6)

|Jun 20, 2026
Integrating Charge Equilibration with Equivariant Machine-Learning Interatomic Potentials.

|Nov 13, 2025
A foundation model for atomistic materials chemistry.

Ilyes Batatia, Philipp Benner, Yuan Chiang

|Nov 07, 2025
Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water.

Niamh O'Neill, Benjamin X Shi, William J Baldwin

|Sep 30, 2024
Accurate Crystal Structure Prediction of New 2D Hybrid Organic-Inorganic Perovskites.

Nima Karimitari, William J Baldwin, Evan W Muller

|Oct 23, 2023
ACEpotentials.jl: A Julia implementation of the atomic cluster expansion.

William C Witt, Cas van der Oord, Elena Gelžinytė

|Sep 22, 2023
Dynamic Local Structure in Caesium Lead Iodide: Spatial Correlation and Transient Domains.

William J Baldwin, Xia Liang, Johan Klarbring

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Frequent Collaborators

5 joint publications

Gábor Csányi

2 joint publications

William C Witt

2 joint publications

Cas van der Oord

2 joint publications

Niamh O'Neill