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Thomas E. Markland — most-cited papers & profile · AI for Science
← authors
·
overview
Thomas E. Markland
5
papers ·
474
citations ·
40
h-index
Stanford University
Google Scholar ↗
Semantic Scholar ↗
OpenAlex ↗
Most-cited papers
i-PI 2.0: A Universal Force Engine for Advanced Molecular Simulations
2018 · 383 citations
TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations
2024 · 51 citations
AENET-LAMMPS and AENET-TINKER: Interfaces for Accurate and Efficient Molecular Dynamics Simulations with Machine Learning Potentials
2021 · 29 citations
Simulating nuclear and electronic quantum effects in enzymes
2022 · 11 citations
Exploiting machine learning to efficiently predict multidimensional optical spectra in complex environments
2020
Top co-authors
Christine M. Isborn
· 2
Michael S. Chen
· 2
Tobias Morawietz
· 2
Alexandre Tkatchenko
· 1
Alice Cuzzocrea
· 1
and Nongnuch Artrith
· 1
Antonio Mirarchi
· 1
Bingqing Cheng
· 1
Clemence Corminboeuf
· 1
David E. Manolopoulos
· 1
David M. Wilkins
· 1
Gareth A. Tribello
· 1
Topics
Chemistry
Materials
Physics ML
Protein Science