Conference on Frontiers in Atomistic Simulations: from Physics to Chemistry and Biology - DAY 1 скачать в хорошем качестве

Conference on Frontiers in Atomistic Simulations: from Physics to Chemistry and Biology - DAY 1

Smr. 4098 This workshop gathers global experts to advance atomistic simulation methods and explore frontier applications in physical and chemical sciences. It features an interdisciplinary mix of topics, including physics, chemistry, biology, and engineering, fostering collaboration and innovation. Topics: • Classical and First Principles Molecular Dynamics to study complex chemical and biological problems ranging from chemistry at interfaces to enzyme catalysis in proteins and drug discovery • Methods Development in Enhanced Sampling/Rare events • Application of Enhanced Sampling Methods to tackle complex problems in physics, chemistry and biology • Development and Application of Machine Learning Potentials • Machine-Learning techniques for automatic/agnostic discovery or reaction coordinates/order parameters