Alice E. A. Allen

According to our database, Alice E. A. Allen authored at least 5 papers between 2019 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2025

Optimal Invariant Bases for Atomistic Machine Learning.

Alice E. A. Allen, Emily Shinkle, Roxana Bujack, Nicholas Lubbers

CoRR, March, 2025

Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data Augmentation.

Luan G. F. dos Santos, Benjamin T. Nebgen, Alice E. A. Allen, Brenden W. Hamilton, Sakib Matin, Justin S. Smith, Richard A. Messerly

J. Chem. Inf. Model., 2025

2022

Constructing Effective Machine Learning Models for the Sciences: A Multidisciplinary Perspective.

Alice E. A. Allen, Alexandre Tkatchenko

CoRR, 2022

2021

Atomic permutationally invariant polynomials for fitting molecular force fields.

Alice E. A. Allen, Geneviève Dusson, Christoph Ortner, Gábor Csányi

Mach. Learn. Sci. Technol., 2021

2019

QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics.

Joshua T. Horton, Alice E. A. Allen, Leela S. Dodda, Daniel J. Cole

J. Chem. Inf. Model., 2019