MD-BAX: A general-purpose Bayesian design framework for molecular dynamics simulations with input-dependent noise.

Saved in:
Bibliographic Details
Title: MD-BAX: A general-purpose Bayesian design framework for molecular dynamics simulations with input-dependent noise.
Authors: Tan T; Department of Chemical and Biomolecular Engineering, The Ohio State University, Columbus, Ohio 43210, USA.; Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA., Chen TY; Department of Chemical and Biomolecular Engineering, The Ohio State University, Columbus, Ohio 43210, USA., Breese JR; Department of Chemical and Biomolecular Engineering, The Ohio State University, Columbus, Ohio 43210, USA., Hall LM; Department of Chemical and Biomolecular Engineering, The Ohio State University, Columbus, Ohio 43210, USA., Paulson JA; Department of Chemical and Biomolecular Engineering, The Ohio State University, Columbus, Ohio 43210, USA.; Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA.
Source: The Journal of chemical physics [J Chem Phys] 2026 Feb 28; Vol. 164 (8).
Publication Type: Journal Article
Journal Info: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1089-7690
DOI:10.1063/5.0310019