CPP 2: Modeling and Simulation of Soft Matter I
Montag, 27. März 2023, 09:30–13:00, MER 02
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09:30 |
CPP 2.1 |
Hauptvortrag:
Molecular Theories meet Explainable Machine Learning – Novel Concepts for Advanced Drug Formulations — •Jens Smiatek
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10:00 |
CPP 2.2 |
Revealing the relation between structure and dynamics using unsupervised machine learning — •Moumita Maiti, Anand Narayanan Krishnamoorthy, Youssef Mabrouk, Diddo Diddens, and Andreas Heuer
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10:15 |
CPP 2.3 |
The contribution has been moved to CPP 12.9.
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10:30 |
CPP 2.4 |
findR: An automatized workflow from molecular dynamic simulation to quantum chemical methods for reaction discovery — •Gunnar Schmitz, Özlem Yönder, Vanessa Angenent, Christof Hättig, and Rochus Schmid
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10:45 |
CPP 2.5 |
The contribution has been withdrawn.
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11:00 |
CPP 2.6 |
Multiscale Simulation Framework for the electromechanical behavior of PEDOT:PSS — Steffen Kampmann, Alexander Croy, •Arezoo Dianat, and Gianaurelio Cuniberti
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11:15 |
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15 min. break
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11:30 |
CPP 2.7 |
Differentiable simulation for Solar Power Plants and beyond — •Stefan Kesselheim, Max Pargmann, and Jan Ebert
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11:45 |
CPP 2.8 |
Simulation-based inference of single-molecule force-spectroscopy — •Roberto Covino, Lars Dingeldein, and Pilar Cossio
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12:00 |
CPP 2.9 |
Coarse-grained modelling of liquid-liquid and liquid-gas interfaces — •Jakob Filser, Harald Oberhofer, Christoph Scheurer, and Karsten Reuter
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12:15 |
CPP 2.10 |
Geometrical frustration causes self-limiting assembly in systems of bipods — •Aswathy Muttathukattil and Michael Engel
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12:30 |
CPP 2.11 |
Pair-Reaction Dynamics in Water: Competition of Memory, Potential-Shape and Inertial Effects — •Florian Brünig, Jan Daldrop, and Roland Netz
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12:45 |
CPP 2.12 |
The Crucial Role of Solvation Forces in the Steric Stabilization of Nanoplatelets — •Nanning Petersen, Martin Girard, Andreas Riedinger, and Omar Valsson
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