Paul Bauer

Publication Activity (10 Years)

Years Active: 2020-2022
Publications (10 Years): 3

Top Topics

Top Venues

Journal of chemical theory and computation

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Noora Aho, Pavel Buslaev, Anton Jansen, Paul Bauer, Gerrit Groenhof, Berk Hess
Scalable Constant pH Molecular Dynamics in GROMACS. Journal of chemical theory and computation 18 (10) (2022)
Pavel Buslaev, Noora Aho, Anton Jansen, Paul Bauer, Berk Hess, Gerrit Groenhof
Best Practices in Constant pH MD Simulations: Accuracy and Sampling. Journal of chemical theory and computation 18 (10) (2022)
Szilárd Páll, Artem Zhmurov, Paul Bauer, Mark Abraham, Magnus Lundborg, Alan Gray, Berk Hess, Erik Lindahl
Heterogeneous parallelization and acceleration of molecular dynamics simulations in GROMACS. The Journal of chemical physics 153 (13) (2020)