Projects
Hessian scientists of various disciplines are using High Performance Computers for their research.
Projects
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Displaying 1 - 5 of 5
Towards a Mobility Preserving Coarse-Grained Model: A Data Driven Approach
Coarse-grained molecular dynamics (MD) simulation provides a faster alternative to all-atom MD simulation, essential for ...
Natural SciencesPhysical and Theoretical Chemistry
Quantifying the Dynamic Acceleration upon Coarse-Graining Using Machine Learning
Coarse-Grained molecular dynamics simulation is a promising alternative to all-atom molecular dynamics simulation for ...
Natural SciencesPhysical and Theoretical Chemistry
Molecular Dynamics Simulation of a Tribology System
The MD method is suitable for studying the behavior of liquid molecular systems. According to past investigations in the ...
Engineering SciencesHeat Energy Technology, Thermal Machines, Fluid Mechanics
Improved Dynamics in Hybrid Particle-Field Simulations of Polymers With Slip-Spring Model
Entanglements between polymer chains are demonstrated as one of the key factors to modulate the macroscopic physical ...
Natural SciencesPhysical and Theoretical Chemistry
Role of Preferential Cosolvent Adsorption in Cononsolvency
Cononsolvency refers to the effect in which a polymer chain in good solvent collapses when it is mixed with an ...
Natural SciencesPhysical and Theoretical Chemistry
