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

Tan T, Chen TY, Breese JR, Hall LM, Paulson JA

Open source

DOI
10.1063/5.0310019
Published
2026 Feb 28
Container
The Journal of chemical physics
Publisher
Not recorded
Open access
no

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BibTeX

@article{allodium:10.1063/5.0310019,
  title = {MD-BAX: A general-purpose Bayesian design framework for molecular dynamics simulations with input-dependent noise.},
  author = {Tan T and Chen TY and Breese JR and Hall LM and Paulson JA},
  year = {2026},
  journal = {The Journal of chemical physics},
  doi = {10.1063/5.0310019},
  url = {https://doi.org/10.1063/5.0310019}
}

RIS

TY  - JOUR
TI  - MD-BAX: A general-purpose Bayesian design framework for molecular dynamics simulations with input-dependent noise.
AU  - Tan T
AU  - Chen TY
AU  - Breese JR
AU  - Hall LM
AU  - Paulson JA
PY  - 2026
JO  - The Journal of chemical physics
DO  - 10.1063/5.0310019
UR  - https://doi.org/10.1063/5.0310019
ER  - 

APA

T, T., TY, C., JR, B., LM, H., & JA, P. (2026). MD-BAX: A general-purpose Bayesian design framework for molecular dynamics simulations with input-dependent noise.. The Journal of chemical physics. https://doi.org/10.1063/5.0310019

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