Author

Stephen Pankavich

Colorado School of MinesORCID 0009-0004-9207-4863Unclaimed ORCID profile · follow to get notified of new preprints

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Approach:deep learning· 1 Research Focus:dimensionality reduction· 1 Assay:multiome· 1 Approach:statistical model· 1

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Alexander J. PakiD· 1 shared Anna WojnariD· 1 shared

Activity by Year

2026-2026 · peak 1/yr

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1 shared paperBiophysics

Alexander J. PakORCID

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1 paper

Recent·Most cited

Active subspace learning for coarse-grained molecular dynamics

Anna Wojnar, Stephen Pankavich, Alexander J. Pak

This paper introduces ASCG, a framework for coarse-graining molecular dynamics that learns reduced variables from atomistic simulations, achieving accurate free energy surfaces and faster timesteps with less training data.

The Journal of Chemical Physics · May 4, 2026Peer-reviewedBiophysics