1 to 10 of 11 Results
Mar 10, 2026
AI software tools for materials development |
Jan 10, 2025
Bottom-up modeling of conducting porous materials via molecular simulation |
Dec 17, 2024
SimTech PN 3A-8: "Certified Coupled Model Order Reduction (CCMOR)" |
Dec 17, 2024
SimTech Project PN 3-5 "Data-integrated Multiscale Modeling of Diffusion-driven Processes in Porous Media" and SimTech Project PN 3-5 (II) "Data-driven multi-scale stability analysis of multi-stimuli-responsive hydrogels" |
Dec 13, 2024
Bottom-up modelling of COF/electrode systems for CO2 reduction in confinement |
Mar 8, 2024
Advanced Learning Strategies for Machine Learned Interatomic Potentials |
Oct 16, 2023
Materials 4.0 |
Jun 12, 2023
We aim to use first-principles calculations at finite temperatures in combination with machine learning (ML) techniques to derive an accurate picture of hydrogen embrittlement in Ni-based superalloys. The ML-based interatomic potential will allow for the determination of the temperature dependent antiphase boundary energy (APB energy) for γ' precip... |
Feb 28, 2023
Biological Molecular Dynamics Simulations |
Jul 5, 2022
Use of physically-based surrogate models to accelerate the optimization of classical force fields and development of new reduced order models for transport properties based on entropy scaling. Machine-learned models for transport properties will be developed with an increasing data-base of simulated force field parameters and substances. |
