Michael M. Henry

Materials Science · Physical Sciences

16h-index1.1kcitations62works6.82yr avg
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Research Topics

Machine Learning in Materials Science(17), Protein Structure and Dynamics(12), Astro and Planetary Science(11), Computational Drug Discovery Methods(7), Plasma Diagnostics and Applications(7)

Publications61 total

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Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Konnektor: A Framework for Using Graph Theory to Plan Networks for Free Energy Calculations
Journal of Chemical Information and Modeling·2024· 1 citedOpen Access
Konnektor: A framework for using graph theory to plan networks for free energy calculations
2024Open Access
Kartograf: A Geometrically Accurate Atom Mapper for Hybrid-Topology Relative Free Energy Calculations
Journal of Chemical Theory and Computation·2024· 7 citedOpen Access
Correction to Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex
Journal of Chemical Theory and Computation·2024· 1 cited
Machine-learned molecular mechanics force fields from large-scale quantum chemical data
Chemical Science·2024· 32 citedOpen Access
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials
The Journal of Physical Chemistry B·2023· 353 citedOpen Access
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
Science·2023· 159 citedOpen Access
Kartograf: An Accurate Geometry-Based Atom Mapper for Hybrid Topology Relative Free Energy Calculations
2023· 1 citedOpen Access
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials
arXiv (Cornell University)·2023· 20 citedOpen Access
Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex
Journal of Chemical Theory and Computation·2023· 18 citedOpen Access
Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond
arXiv (Cornell University)·2023· 13 citedOpen Access
Identifying and overcoming the sampling challenges in relative binding free energy calculations of a model protein:protein complex
2023· 3 citedOpen Access
End-to-end differentiable construction of molecular mechanics force fields
Chemical Science·2022· 80 citedOpen Access
Self-Assembly of Ge and GaAs Quantum Dots under Tensile Strain on InAlAs(111)A
Crystal Growth & Design·2021· 5 cited
Useable Coarse-Grained Models for Semiconducting Polymers and Thermosets
2020Open Access
General-Purpose Coarse-Grained Toughened Thermoset Model for 44DDS/DGEBA/PES
Polymers·2020· 6 citedOpen Access
Dataset for General-Purpose Coarse-Grained Toughened Thermoset Model for 44DDS/DGEBA/PES
2020· 3 cited
Hop-Skip-Jump: Monovalent Metals on the Surface of the Phenalenyl Radical
Organometallics·2019· 2 cited
Perspective on coarse-graining, cognitive load, and materials simulation
Computational Materials Science·2019· 18 citedOpen Access
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Frequent Co-authors

D. E. Brinza(15), Eric Jankowski(12), John D. Chodera(9), Matthew L. Jones(7), Ivy Zhang(6), Iván Pulido(6), Evan Miller(6), J. Wang(6), Ira Katz(5), Sukrit Singh(4), Yuanqing Wang(4), Dominic A. Rufa(4), Stephen R. Thomas(4), M Alberts(4), G. Musmann(4), Ingo Richter(4), D. T. Young(4), Irfan Alibay(4), Peter Eastman(3), Kenichiro Takaba(3)