Alice E. A. Allen

Publication Activity (10 Years)

Years Active: 2019-2022
Publications (10 Years): 3

Top Topics

Geometric Invariants

Gradient Vector Flow

Machine Learning Models

Top Venues

Mach. Learn. Sci. Technol.

J. Chem. Inf. Model.

Publications

Alice E. A. Allen, Alexandre Tkatchenko
Constructing Effective Machine Learning Models for the Sciences: A Multidisciplinary Perspective. CoRR (2022)
Alice E. A. Allen, Geneviève Dusson, Christoph Ortner, Gábor Csányi
Atomic permutationally invariant polynomials for fitting molecular force fields. Mach. Learn. Sci. Technol. 2 (2) (2021)
Joshua T. Horton, Alice E. A. Allen, Leela S. Dodda, Daniel J. Cole
QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics. J. Chem. Inf. Model. 59 (4) (2019)