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Hessische Wissenschaftlerinnen und Wissenschaftler unterschiedlichster Disziplinen benötigen Hochleistungsrechnen für ihre Forschung.
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Displaying 1 - 13 of 13
Atomic Scale Modeling of Coherent Phase Transitions in Energy Storage Materials
Hydrogen has emerged as a crucial element in the pursuit of decarbonization and the transition to a sustainable energy ...
IngenieurwissenschaftenMaterialwissenschaft-
Investigation of the Phase Separation Process of Polymer-Monomer Mixtures II
The polymerization of low-density polyethylene takes place at high temperatures and pressures up to 3000 bar. Under ...
IngenieurwissenschaftenVerfahrenstechnik, Technische Chemie 
Multiscale Modelling of Cement-Based Materials III
The project seeks to create a comprehensive model linking nanoscale phenomena to larger-scale behaviors to better ...
IngenieurwissenschaftenBauwesen und Architektur
Simulation of in-situ Alloying of High Entropy Alloys During Additive Manufacturing Using Molecular Dynamics
Laser powder bed fusion (LPBF) is an additive manufacturing technology involving a gradual build-on of layers to form a ...
Engineering SciencesMaterials Science
Understanding the Detrimental Nature of Dislocations in Layered Cathode Active Materials II
Layered transition metal oxides, derived from the model system LiCoO2, are used as cathode materials in Li-ion batteries ...
IngenieurwissenschaftenMaterialwissenschaft
A Machine-Learning Interatomic Potential for the Si-O System
Nowadays, atomistic simulations are becoming more and more important. Due to the increasing availability of ...
IngenieurwissenschaftenMaterialwissenschaft-
Conquering Noise with Hardware Counters on HPC Systems
With increasing system performance and complexity, it is becoming increasingly crucial to examine the scaling behavior ...
IngenieurwissenschaftenInformatik 
Interatomic Potentials for Amorphous Solids From Second Principles
Metallic glasses (MGs) can be produced by quickly quenching alloy melts. They typically show a higher elastic limit and ...
IngenieurwissenschaftenMaterialwissenschaft
Investigation of Domain Switching Mechanics of Perovskite Ferroelectrics using Molecular Dynamics Simulations
Ferroelectric ceramics with perovskite structure can be used in novel cooling applications based on the electrocaloric ...
IngenieurwissenschaftenVerfahrenstechnik, Technische ChemieMaterialwissenschaft
Molecular Dynamics Simulation of Fe-based Magnetocaloric Materials
Magnetocaloric materials are of interest for magnetic refrigeration of microfluidic reactors, electronic chips or other ...
IngenieurwissenschaftenWerkstofftechnik
Multiscale Modelling of Cement-Based Materials
Overall objective of this project is to develop an elementary physical/chemical bridging model for the chemical reaction ...
IngenieurwissenschaftenBauwesen und Architektur
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 ...
NaturwissenschaftenPhysikalische und Theoretische Chemie
Reinforcement of High-Entropy Metallic Glasses: A Molecular Dynamics Study
Since their invention in the 1960s, metallic glasses (MGs) gained great attention due to their high strength and elastic ...
IngenieurwissenschaftenMaterialwissenschaft
