Andreas Krämer

Freie Universität Berlin — Germany

Biochemistry, Genetics and Molecular Biology · Life Sciences

26h-index3.0kcitations111works8.32yr avg
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Research Topics

Protein Structure and Dynamics(26), Spectroscopy and Quantum Chemical Studies(15), Lattice Boltzmann Simulation Studies(14), Lipid Membrane Structure and Behavior(13), Machine Learning in Materials Science(12)

Publications111 total

Navigating protein landscapes with a machine-learned transferable coarse-grained model
Nature Chemistry·2025· 25 citedOpen Access
Neural Integral Operators for Inverse problems in Spectroscopy
arXiv (Cornell University)·2025Open Access
The Changed Perspective: Eagle Eye Instead of Tunnel Vision
Future of business and finance·2025
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials
The Journal of Physical Chemistry B·2023· 353 citedOpen Access
Navigating protein landscapes with a machine-learned transferable coarse-grained model
2023· 3 citedOpen Access
Navigating protein landscapes with a machine-learned transferable coarse-grained model
arXiv (Cornell University)·2023· 5 citedOpen Access
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials
arXiv (Cornell University)·2023· 20 citedOpen Access
Equivariant flow matching
arXiv (Cornell University)·2023· 6 citedOpen Access
Statistically Optimal Force Aggregation for Coarse-Graining Molecular Dynamics
The Journal of Physical Chemistry Letters·2023· 32 cited
Assessment of lattice Boltzmann method for low-rise building wind flow simulation with limited resources
Discrete and Continuous Dynamical Systems - S·2023· 1 citedOpen Access
Statistically Optimal Force Aggregation for Coarse-Graining Molecular Dynamics
arXiv (Cornell University)·2023· 3 citedOpen Access
Stochastic Approximation to MBAR and TRAM: Batchwise Free Energy Estimation
Journal of Chemical Theory and Computation·2023· 14 cited
Flow-Matching: Efficient Coarse-Graining of Molecular Dynamics without Forces
Journal of Chemical Theory and Computation·2023· 51 cited
Skipping the Replica Exchange Ladder with Normalizing Flows
The Journal of Physical Chemistry Letters·2022· 32 cited
Skipping the Replica Exchange Ladder with Normalizing Flows
arXiv (Cornell University)·2022Open Access
Temperature steerable flows and Boltzmann generators
Physical Review Research·2022· 26 citedOpen Access
Stochastic approximation to MBAR and TRAM: batch-wise free energy estimation
arXiv (Cornell University)·2022· 1 citedOpen Access
Data samples for Flow-matching -- efficient coarse-graining molecular dynamics without forces
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
Data samples for Flow-matching -- efficient coarse-graining molecular dynamics without forces
Zenodo (CERN European Organization for Nuclear Research)·2022Open Access
Flow-matching -- efficient coarse-graining of molecular dynamics without forces
arXiv (Cornell University)·2022· 5 citedOpen Access
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Frequent Co-authors

Dirk Reith(11), Frank Noé(10), Holger Foysi(8), Cecilia Clementi(7), Dominik Wilde(7), Richard M. Venable(6), Richard W. Pastor(6), Gianni De Fabritiis(5), Yaoyi Chen(5), H. G. Dosch(5), Peter Brucker(5), Andrew C. Simmonett(4), Nicholas E. Charron(4), Bernard R. Brooks(4), Jeffery B. Klauda(4), Knut Küllmer(4), Jing Huang(3), Maciej Majewski(3), Adrià Pérez(3), Brooke E. Husic(3)