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Runtime Steering of Molecular Dynamics Simulations Through ..:

, In: Proceedings of the Platform for Advanced Scientific Computing Conference,

Caino-Lores, Silvina ; Cuendet, Michel ; Marquez, Jack... - p. 1-11 , 2023

Link: https://dl.acm.org/doi/10.1145/3592979.3593420

RT 
T1 <cTitle>Proceedings of the Platform for Advanced Scientific Computing Conference</cTitle>: T1 <Title>Runtime Steering of Molecular Dynamics Simulations Through In Situ Analysis and Annotation of Collective Variables</Title>

UL https://suche.suub.uni-bremen.de/peid=acm-3593420&Exemplar=1&LAN=DE
				
A1 Caino-Lores, Silvina
A1 Cuendet, Michel
A1 Marquez, Jack
A1 Kots, Ekaterina
A1 Estrada, Trilce
A1 Deelman, Ewa
A1 Weinstein, Harel
A1 Taufer, Michela
PB ACM
YR 2023
K1 molecular dynamics
K1 scientific workflows
K1 simulation ensembles
K1 in situ analysis
K1 collective variables
K1 Software and its engineering
K1 Software notations and tools
K1 General programming languages
K1 Language features
K1 Frameworks
K1 Information systems
K1 Data management systems
K1 Database management system engines
K1 Online analytical processing engines
K1 Computing methodologies
K1 Modeling and simulation
K1 Simulation types and techniques
K1 Molecular simulation
K1 Massively parallel and high-performance simulations
K1 Applied computing
K1 Life and medical sciences
K1 Computational biology
K1 Molecular structural biology
SP 1
OP 11
LK http://dx.doi.org/https://dl.acm.org/doi/10.1145/3592979.3593420
DO https://dl.acm.org/doi/10.1145/3592979.3593420
SF ELIB - SuUB Bremen

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