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Stefan Kesselheim
Stefan Kesselheim
Jülich Supercomputing Center, Jülich Research Centre
Email confirmado em fz-juelich.de
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Espresso 3.1: Molecular dynamics software for coarse-grained models
A Arnold, O Lenz, S Kesselheim, R Weeber, F Fahrenberger, D Roehm, ...
Meshfree methods for partial differential equations VI, 1-23, 2013
2232013
Meshfree methods for partial differential equations VI
A Arnold, O Lenz, S Kesselheim, R Weeber, F Fahrenberger, D Roehm, ...
Lecture Notes in Computational Science and Engineering 89, 1-23, 2013
822013
Origin of current blockades in nanopore translocation experiments
S Kesselheim, W Müller, C Holm
Physical review letters 112 (1), 018101, 2014
732014
Efficient algorithms for electrostatic interactions including dielectric contrasts
A Arnold, K Breitsprecher, F Fahrenberger, S Kesselheim, O Lenz, ...
Entropy 15 (11), 4569-4588, 2013
572013
Hydrodynamic interactions slow down crystallization of soft colloids
D Roehm, S Kesselheim, A Arnold
Soft matter 10 (30), 5503-5509, 2014
352014
A hybrid process for chiral separation of compound‐forming systems
L Gou, S Robl, K Leonhard, H Lorenz, M Sordo, A Butka, S Kesselheim, ...
Chirality 23 (2), 118-127, 2011
282011
Tracer diffusion in a crowded cylindrical channel
R Chakrabarti, S Kesselheim, P Košovan, C Holm
Physical Review E 87 (6), 062709, 2013
232013
Applying ICC⋆ to dna translocation: Effect of dielectric boundaries
S Kesselheim, M Sega, C Holm
Computer Physics Communications 182 (1), 33-35, 2011
222011
Effects of dielectric mismatch and chain flexibility on the translocation barriers of charged macromolecules through solid state nanopores
S Kesselheim, M Sega, C Holm
Soft Matter 8 (36), 9480-9486, 2012
192012
Juwels booster–a supercomputer for large-scale ai research
S Kesselheim, A Herten, K Krajsek, J Ebert, J Jitsev, M Cherti, M Langguth, ...
High Performance Computing: ISC High Performance Digital 2021 International …, 2021
152021
A coarse-grained dna model for the prediction of current signals in dna translocation experiments
F Weik, S Kesselheim, C Holm
The Journal of chemical physics 145 (19), 2016
142016
Visual analysis for space–time aggregation of biomolecular simulations
T Ertl, M Krone, S Kesselheim, K Scharnowski, G Reina, C Holm
Faraday discussions 169, 167-178, 2014
112014
Acquisitions with random shim values enhance AI-driven NMR shimming
M Becker, S Lehmkuhl, S Kesselheim, JG Korvink, M Jouda
Journal of Magnetic Resonance 345, 107323, 2022
82022
Lecture Notes in Computational Science and Engineering
A Arnold, O Lenz, S Kesselheim, R Weeber, F Fahrenberger, D Roehm, ...
Springer 89, 1, 2013
72013
The icc* algorithm: A fast way to include dielectric boundary effects into molecular dynamics simulations
S Kesselheim, M Sega, C Holm
arXiv preprint arXiv:1003.1271, 2010
72010
Meshfree Methods for Partial Differential Equations VI, 2013
A Arnold, O Lenz, S Kesselheim, R Weeber, F Fahrenberger, D Röhm, ...
Search PubMed, 1-23, 0
6
MISATO-Machine learning dataset of protein-ligand complexes for structure-based drug discovery
T Siebenmorgen, F Menezes, S Benassou, E Merdivan, S Kesselheim, ...
bioRxiv, 2023.05. 24.542082, 2023
42023
Simulations of DNA translocation through nanopores
S Kesselheim
42015
Tokenizer Choice For LLM Training: Negligible or Crucial?
M Ali, M Fromm, K Thellmann, R Rutmann, M Lübbering, J Leveling, ...
arXiv preprint arXiv:2310.08754, 2023
22023
Hydrodynamic correlations slow down crystallization of soft colloids
D Roehm, S Kesselheim, A Arnold
arXiv preprint arXiv:1304.4158, 2013
22013
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Artigos 1–20