International Workshop on Molecular Modeling and Simulation
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03-01-2021
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Force Fields
MD/MC Simulation Methods and Tools
Multiscale Modeling and Simulation
Nanoscale Processes
Physico‐Chemical Properties
Polymers
Porous Media
Processes at Surfaces
Quantum Chemical Methods
Reactive Systems
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International Workshop on Molecular Modeling and Simulation
Monday – 03-01-2021
09:45
iCal
Plenarysession / Openingsession
Chair(s)
Prof. Dr. Jadran Vrabec (Technische Univeristät Berlin)
Room:
Virtual Room 1
Topic:
Form of presentation:
Lecture
Duration:
95 Minutes
09:45
Opening
10:00
Dynamics and transport at and through interfaces by molecular dynamics simulation
Dr. Jean Marc Simon | CNRS-Université de Bourgogne | France
10:40
Transport properties of fluid mixtures at near critical conditions by molecular simulation
Dr. Gabriela Guevara Carrion | TU Berlin / Institut für Prozess- und Verfahrenstechnik (FG Dynamik und Betrieb technischer Anlagen) | Germany
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Authors:
Dr. Gabriela Guevara Carrion | TU Berlin / Institut für Prozess- und Verfahrenstechnik (FG Dynamik und Betrieb technischer Anlagen) | Germany
Prof. Dr. Jadran Vrabec | TU Berlin | Germany
11:00
Computational Investigation of the Soret Coefficient in the Context of Host/Ligand Binding
Dr. Daniel Markthaler | University of Stuttgart | Germany
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Authors:
Dr. Daniel Markthaler | University of Stuttgart | Germany
Shilpa Mohankumar | Forschungszentrum Jülich GmbH | Germany
Prof. Dr. Simone Wiegand | Forschungszentrum Jülich GmbH | Germany
Prof. Dr. Niels Hansen | University of Stuttgart | Germany