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Andreas Krämer

4PUBLICATIONS

11CO-AUTHORS

Statistical mechanics in chemistryComputational chemistryTransport properties and non-equilibrium processesChemical thermodynamics and energetics

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Publications (4)

Sort by Publication Date:

|Sep 02, 2021

Machine learning implicit solvation for molecular dynamics.

Yaoyi Chen, Andreas Krämer, Nicholas E Charron

|Nov 21, 2020

Coarse graining molecular dynamics with graph neural networks.

Brooke E Husic, Nicholas E Charron, Dominik Lemm

|Oct 02, 2020

Membrane permeability of small molecules from unbiased molecular dynamics simulations.

Andreas Krämer, An Ghysels, Eric Wang

|Oct 02, 2020

Molecular dynamics simulations of ethanol permeation through single and double-lipid bilayers.

Mahdi Ghorbani, Eric Wang, Andreas Krämer

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Frequent Collaborators

2 joint publications

Jeffery B Klauda

2 joint publications

Brooke E Husic

2 joint publications

Yaoyi Chen

2 joint publications

Frank Noé

2 joint publications

Cecilia Clementi

1 joint publications

An Ghysels

1 joint publications

Richard W Pastor

1 joint publications

Nicholas E Charron

1 joint publications

Dominik Lemm

1 joint publications

Jiang Wang

Frequent Collaborators

2 joint publications

Jeffery B Klauda

2 joint publications

Brooke E Husic

2 joint publications

Yaoyi Chen

2 joint publications

Frank Noé

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