Andreas Krämer

33 papers A* 2A 1C 1Misc 1Journal 19Unranked 6

Year	Rank	Type	Title / Venue / Authors
2023	A*	`conf`	Equivariant flow matching. NeurIPS Leon Klein, Andreas Krämer, Frank Noé
2023	J	`jnl`	Equivariant flow matching. CoRR Leon Klein, Andreas Krämer, Frank Noé
2023	J	`jnl`	OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. CoRR 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
2022	C	`conf`	An Experimental Assessment of Modulation Methods for Drive Trains Used In Electric Vehicles. IECON Eleftherios Kontodinas, Andreas Krämer, Hans-Dieter Endres, Sebastian Wendel, Petros P. Karamanakos, Joao Bonifacio
2022	J	`jnl`	Force-matching Coarse-Graining without Forces. CoRR Jonas Köhler, Yaoyi Chen, Andreas Krämer, Cecilia Clementi, Frank Noé
2021	J	`jnl`	Cubature rules for weakly and fully compressible off-lattice Boltzmann methods. J. Comput. Sci. Dominik Wilde, Andreas Krämer, Mario Bedrunka, Dirk Reith, Holger Foysi
2021	—	`conf`	Lettuce: PyTorch-Based Lattice Boltzmann Framework. ISC Workshops Mario Christopher Bedrunka, Dominik Wilde, Martin Kliemank, Dirk Reith, Holger Foysi, Andreas Krämer
2021	J	`jnl`	Lettuce: PyTorch-based Lattice Boltzmann Framework. CoRR Mario Christopher Bedrunka, Dominik Wilde, Martin Kliemank, Dirk Reith, Holger Foysi, Andreas Krämer
2021	A*	`conf`	Smooth Normalizing Flows. NeurIPS Jonas Köhler, Andreas Krämer, Frank Noé
2021	J	`jnl`	Smooth Normalizing Flows. CoRR Jonas Köhler, Andreas Krämer, Frank Noé
2021	J	`jnl`	The Coronavirus Network Explorer: mining a large-scale knowledge graph for effects of SARS-CoV-2 on host cell function. BMC Bioinform. Andreas Krämer, Jean-Noel Billaud, Stuart Tugendreich, Dan Shiffman, Martin Jones, Jeff Green
2020	J	`jnl`	Lattice Boltzmann simulations on irregular grids: Introduction of the NATriuM library. Comput. Math. Appl. Andreas Krämer, Dominik Wilde, Knut Küllmer, Dirk Reith, Holger Foysi, Wolfgang Joppich
2020	J	`jnl`	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. Andreas Krämer, Phillip S. Hudson, Michael R. Jones, Bernard R. Brooks
2020	J	`jnl`	TorchMD: A deep learning framework for molecular simulations. CoRR Stefan Doerr, Maciej Majewski, Adrià Pérez, Andreas Krämer, Cecilia Clementi, Frank Noé, Toni Giorgino, Gianni De Fabritiis
2020	J	`jnl`	Training Neural Networks with Property-Preserving Parameter Perturbations. CoRR Andreas Krämer, Jonas Köhler, Frank Noé
2017	—	`ch.`	Calculation of Chemical Equilibria in Multi-Phase: Multicomponent Systems. Scientific Computing and Algorithms in Industrial Simulations Marco Hülsmann, Bernhard Klaassen, Andreas Krämer, Ottmar Krämer-Fuhrmann, Tosawi Pangalela, Dirk Reith, Klaus Hack, Johannes Linden
2017	—	`ch.`	Molecular Dynamics Simulation of Membrane Free Energy Profiles Using Accurate Force Field for Ionic Liquids. Scientific Computing and Algorithms in Industrial Simulations Thorsten Köddermann, Martin R. Schenk, Marco Hülsmann, Andreas Krämer, Karl N. Kirschner, Dirk Reith
2016	J	`jnl`	Numerical optimisation of the pseudopotential-based lattice Boltzmann method. J. Comput. Sci. Knut Küllmer, Andreas Krämer, Dirk Reith, Wolfgang Joppich, Holger Foysi
2015	—	`conf`	Optimizing Molecular Models Through Force-Field Parameterization via the Efficient Combination of Modular Program Packages. FOMMS Marco Hülsmann, Karl N. Kirschner, Andreas Krämer, Doron D. Heinrich, Ottmar Krämer-Fuhrmann, Dirk Reith
2014	J	`jnl`	Automated parameterization of intermolecular pair potentials using global optimization techniques. Comput. Phys. Commun. Andreas Krämer, Marco Hülsmann, Thorsten Köddermann, Dirk Reith
2014	J	`jnl`	Causal analysis approaches in Ingenuity Pathway Analysis. Bioinform. Andreas Krämer, Jeff Green, Jack Pollard Jr., Stuart Tugendreich
2013	Misc	`conf`	Predictive Systems Biology Approach to Broad-Spectrum, Host-Directed Drug Target Discovery in Infectious Diseases. Pacific Symposium on Biocomputing Ramon M. Felciano, Sina Bavari, Daniel R. Richards, Jean-Noel Billaud, Travis Warren, Rekha Panchal, Andreas Krämer
2008	A	`conf`	Model-Based Testing of Automotive Systems. ICST Eckard Bringmann, Andreas Krämer
2005	—	`conf`	Functional Modularity in a Large-Scale Mammalian Molecular Interaction Network. CSB Workshops Andreas Krämer, Daniel R. Richards, James O. Bowlby, Ramon M. Felciano
2003	J	`jnl`	Fast 3D molecular superposition and similarity search in databases of flexible molecules. J. Comput. Aided Mol. Des. Andreas Krämer, Hans W. Horn, Julia E. Rice
2001	J	`jnl`	FLASHFLOOD: A 3D Field-based similarity search and alignment method for flexible molecules. J. Comput. Aided Mol. Des. Michael Pitman, Wolfgang Huber, Hans W. Horn, Andreas Krämer, Julia E. Rice, William C. Swope
1997	J	`jnl`	Complexity of scheduling problems with multi-purpose machines. Ann. Oper. Res. Peter Brucker, Bernd Jurisch, Andreas Krämer
1996	—	`conf`	Vergleichende Analyse von HTLV-I-Nukleotidsequenzen mittels Split-Zerlegungsmethode. GMDS C. Stock, B. Volkmer, Udo Tönges, M. Silva, Andreas W. M. Dress, Andreas Krämer
1995	—	`—`	Scheduling multiprocessor tasks on dedicated processors. Andreas Krämer
1995	J	`jnl`	Shop scheduling problems with multiprocessor tasks on dedicated processors. Ann. Oper. Res. Peter Brucker, Andreas Krämer
1994	—	`conf`	Epidemiologische Modelle zur Übertragung und Ausbreitung von HTLV-I. GMDS J. Seydel, Andreas Krämer
1994	—	`conf`	Segmented Cox Models Can Distinguish Long and Short Term Progression Markers for AIDS. GMDS A. J. Claxton, Andreas Krämer, B. Grund, P. J. Hannan, D. R. Jacobs
1994	J	`jnl`	The job-shop problem and immediate selection. Ann. Oper. Res. Peter Brucker, Bernd Jurisch, Andreas Krämer