Concepedia

Simon Axelrod

SA

Statistics

Publications

18

Citations

1.1K

H-Index

15

Active since

2017

Affiliations

Massachusetts Institute of Technology(Current)

Harvard University

Harvard University Press

University of Toronto

Simon Axelrod is an author at Massachusetts Institute of Technology specializing in chemistry, natural sciences, and computational chemistry.

Publications per year

2017–2024

18

Publications

18

GEOM, energy-annotated molecular conformations for property prediction and molecular generation

Simon Axelrod, Rafael Gómez‐Bombarelli · Scientific Data · 2022 · 260 citations · Full text

Natural Sciences, Biophysics, Chemistry +14

Neural scaling of deep chemical models

Nathan C. Frey, Ryan Soklaski, Simon Axelrod et al. · Nature Machine Intelligence · 2023 · 108 citations · Full text

Computing, Chemistry, Computational Chemistry +14

Learning Matter: Materials Design with Machine Learning and Atomistic Simulations

Simon Axelrod, Daniel Schwalbe‐Koda, Somesh Mohapatra et al. · Accounts of Materials Research · 2022 · 107 citations · Full text

Natural Sciences, Chemistry, Materials Science +16

Active learning accelerates ab initio molecular dynamics on reactive energy surfaces

Shi Jun Ang, Wujie Wang, Daniel Schwalbe‐Koda et al. · Chem · 2021 · 103 citations · Full text

Natural Sciences, Chemistry, Physics +16

Excited state non-adiabatic dynamics of large photoswitchable molecules using a chemically transferable machine learning potential

Simon Axelrod, Eugene I. Shakhnovich, Rafael Gómez‐Bombarelli · Nature Communications · 2022 · 89 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +17

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