Projects Archiv - Page 11 of 16 - NHR4CES

Evaluating the performance of cluster and embedded-cluster models in ORCA for Nudged-Elastic Band Calculations of HCN formation in CuSSZ13 zeolite catalysts

Rational design of narrow-hysteresis materials by tailoring magnetoelastic interactions II

Deformation Phenomena in Metallic Glass/High Entropy Nanolaminates

Improving the Understanding of Neuromuscular Gait Control using Deep Reinforcement Learning

Machine-learning models and potentials for various systems

Parallel Finite Element Methods for Complex Flows of Complex Fluids

Understanding the detrimental nature of dislocations in layered cathode active materials

First-Principles Calculations of Spectroscopic Signatures

Investigation of the 3D Instationary Flow in Linear Compressor Cascade Using Large Eddy Simulations

Computer aided catalyst development for the conversion of CO2 with the Reverse Water Gas Shift Reaction