Termine des IPC-Seminars
Wintersemester 2020/2021
Modelling aqueous lithium hydroxide solutions using a high-dimensional neural network potential
Tianshu Liu (IPC-Praktikum, AK Mata)Reaction Mechanism for Electrophilic Alkynylation with Sulfur-Based Reagents
Liquid State 1H Overhauser Dynamic Nuclear Polarization of Chloroform at different Temperatures at 0.34T
Predicting Oxidation and Spin States by High-Dimensional Neural Networks
Caroline Stelbrink (IPC-Praktikum, AK Behler)Construction and Evaluation of Neural Network Potentials for MOF-5
Including dispersion interactions in high-dimensional neural network potentials