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ORCIDAndreas Krämer
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2020 – today
- 2023
[c11]Leon Klein, Andreas Krämer, Frank Noé:
Equivariant flow matching. NeurIPS 2023- [i7]Leon Klein, Andreas Krämer, Frank Noé:
Equivariant flow matching. CoRR abs/2306.15030 (2023) - [i6]Peter K. Eastman, Raimondas Galvelis, Raúl P. Peláez, Charlles R. A. Abreu, Stephen E. Farr, Emilio Gallicchio, Anton Gorenko, Michael M. Henry, Frank Hu, Jing Huang, Andreas Krämer, Julien Michel, Joshua A. Mitchell
, Vijay S. Pande, João P. G. L. M. Rodrigues, Jaime Rodríguez-Guerra, Andrew C. Simmonett, Jason M. Swails, Ivy Zhang, John D. Chodera, Gianni De Fabritiis, Thomas E. Markland:
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. CoRR abs/2310.03121 (2023) - 2022
- [c10]Eleftherios Kontodinas, Andreas Krämer, Hans-Dieter Endres, Sebastian Wendel, Petros P. Karamanakos, Joao Bonifacio:
An Experimental Assessment of Modulation Methods for Drive Trains Used In Electric Vehicles. IECON 2022: 1-6 - [i5]Jonas Köhler, Yaoyi Chen, Andreas Krämer, Cecilia Clementi, Frank Noé:
Force-matching Coarse-Graining without Forces. CoRR abs/2203.11167 (2022) - 2021
- [j12]Andreas Krämer, Jean-Noel Billaud, Stuart Tugendreich, Dan Shiffman, Martin Jones, Jeff Green:
The Coronavirus Network Explorer: mining a large-scale knowledge graph for effects of SARS-CoV-2 on host cell function. BMC Bioinform. 22(1): 229 (2021) - [j11]Dominik Wilde, Andreas Krämer, Mario Bedrunka, Dirk Reith, Holger Foysi:
Cubature rules for weakly and fully compressible off-lattice Boltzmann methods. J. Comput. Sci. 51: 101355 (2021) - [c9]Jonas Köhler, Andreas Krämer, Frank Noé:
Smooth Normalizing Flows. NeurIPS 2021: 2796-2809 - [c8]Mario Christopher Bedrunka, Dominik Wilde, Martin Kliemank, Dirk Reith, Holger Foysi, Andreas Krämer:
Lettuce: PyTorch-Based Lattice Boltzmann Framework. ISC Workshops 2021: 40-55 - [i4]Mario Christopher Bedrunka, Dominik Wilde, Martin Kliemank, Dirk Reith, Holger Foysi, Andreas Krämer:
Lettuce: PyTorch-based Lattice Boltzmann Framework. CoRR abs/2106.12929 (2021) - [i3]Jonas Köhler, Andreas Krämer, Frank Noé:
Smooth Normalizing Flows. CoRR abs/2110.00351 (2021) - 2020
- [j10]Andreas Krämer, Dominik Wilde, Knut Küllmer, Dirk Reith, Holger Foysi, Wolfgang Joppich:
Lattice Boltzmann simulations on irregular grids: Introduction of the NATriuM library. Comput. Math. Appl. 79(1): 34-54 (2020) - [j9]Andreas Krämer, Phillip S. Hudson, Michael R. Jones, Bernard R. Brooks:
Multi-phase Boltzmann weighting: accounting for local inhomogeneity in molecular simulations of water-octanol partition coefficients in the SAMPL6 challenge. J. Comput. Aided Mol. Des. 34(5): 471-483 (2020) - [i2]Andreas Krämer, Jonas Köhler, Frank Noé:
Training Neural Networks with Property-Preserving Parameter Perturbations. CoRR abs/2010.07033 (2020) - [i1]Stefan Doerr, Maciej Majewski, Adrià Pérez, Andreas Krämer, Cecilia Clementi, Frank Noé, Toni Giorgino, Gianni De Fabritiis:
TorchMD: A deep learning framework for molecular simulations. CoRR abs/2012.12106 (2020)
2010 – 2019
- 2017
- [p2]Marco Hülsmann, Bernhard Klaassen, Andreas Krämer, Ottmar Krämer-Fuhrmann, Tosawi Pangalela, Dirk Reith, Klaus Hack, Johannes Linden:
Calculation of Chemical Equilibria in Multi-Phase: Multicomponent Systems. Scientific Computing and Algorithms in Industrial Simulations 2017: 3-24 - [p1]Thorsten Köddermann, Martin R. Schenk, Marco Hülsmann, Andreas Krämer, Karl N. Kirschner, Dirk Reith:
Molecular Dynamics Simulation of Membrane Free Energy Profiles Using Accurate Force Field for Ionic Liquids. Scientific Computing and Algorithms in Industrial Simulations 2017: 265-284 - 2016
- [j8]Knut Küllmer, Andreas Krämer, Dirk Reith, Wolfgang Joppich, Holger Foysi:
Numerical optimisation of the pseudopotential-based lattice Boltzmann method. J. Comput. Sci. 17: 384-393 (2016) - 2015
- [c7]Marco Hülsmann, Karl N. Kirschner, Andreas Krämer, Doron D. Heinrich, Ottmar Krämer-Fuhrmann, Dirk Reith:
Optimizing Molecular Models Through Force-Field Parameterization via the Efficient Combination of Modular Program Packages. FOMMS 2015: 53-77 - 2014
- [j7]Andreas Krämer, Jeff Green, Jack Pollard Jr., Stuart Tugendreich:
Causal analysis approaches in Ingenuity Pathway Analysis. Bioinform. 30(4): 523-530 (2014) - [j6]Andreas Krämer, Marco Hülsmann, Thorsten Köddermann, Dirk Reith:
Automated parameterization of intermolecular pair potentials using global optimization techniques. Comput. Phys. Commun. 185(12): 3228-3239 (2014) - 2013
- [c6]Ramon M. Felciano, Sina Bavari, Daniel R. Richards, Jean-Noel Billaud, Travis Warren, Rekha Panchal, Andreas Krämer:
Predictive Systems Biology Approach to Broad-Spectrum, Host-Directed Drug Target Discovery in Infectious Diseases. Pacific Symposium on Biocomputing 2013: 17-28
2000 – 2009
- 2008
- [c5]Eckard Bringmann, Andreas Krämer:
Model-Based Testing of Automotive Systems. ICST 2008: 485-493 - 2005
- [c4]Andreas Krämer, Daniel R. Richards, James O. Bowlby, Ramon M. Felciano:
Functional Modularity in a Large-Scale Mammalian Molecular Interaction Network. CSB Workshops 2005: 161-163 - 2003
- [j5]Andreas Krämer, Hans W. Horn, Julia E. Rice:
Fast 3D molecular superposition and similarity search in databases of flexible molecules. J. Comput. Aided Mol. Des. 17(1): 13-38 (2003) - 2001
- [j4]Michael Pitman, Wolfgang Huber, Hans W. Horn, Andreas Krämer, Julia E. Rice, William C. Swope:
FLASHFLOOD: A 3D Field-based similarity search and alignment method for flexible molecules. J. Comput. Aided Mol. Des. 15(7): 587-612 (2001)
1990 – 1999
- 1997
- [j3]Peter Brucker, Bernd Jurisch, Andreas Krämer:
Complexity of scheduling problems with multi-purpose machines. Ann. Oper. Res. 70: 57-73 (1997) - 1996
- [c3]C. Stock, B. Volkmer, Udo Tönges, M. Silva, Andreas W. M. Dress, Andreas Krämer:
Vergleichende Analyse von HTLV-I-Nukleotidsequenzen mittels Split-Zerlegungsmethode. GMDS 1996: 533-537 - 1995
- [b1]Andreas Krämer:
Scheduling multiprocessor tasks on dedicated processors. University of Osnabrück, Germany, 1995 - [j2]Peter Brucker, Andreas Krämer:
Shop scheduling problems with multiprocessor tasks on dedicated processors. Ann. Oper. Res. 57(1): 13-27 (1995) - 1994
- [j1]Peter Brucker, Bernd Jurisch, Andreas Krämer:
The job-shop problem and immediate selection. Ann. Oper. Res. 50(1): 73-114 (1994) - [c2]A. J. Claxton, Andreas Krämer, B. Grund, P. J. Hannan, D. R. Jacobs:
Segmented Cox Models Can Distinguish Long and Short Term Progression Markers for AIDS. GMDS 1994: 516-520 - [c1]J. Seydel, Andreas Krämer:
Epidemiologische Modelle zur Übertragung und Ausbreitung von HTLV-I. GMDS 1994: 545-547
Coauthor Index
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