Wen Jie Ong: Accelerating Chemistry and Materials Innovation with NVIDIA ALCHEMI скачать в хорошем качестве

Wen Jie Ong: Accelerating Chemistry and Materials Innovation with NVIDIA ALCHEMI

Accelerating AI for Chemistry and Materials Science with NVIDIA ALCHEMI | BIDMaP Seminar Series About this Seminar Join us for an exploration of how NVIDIA ALCHEMI (AI Lab for Chemistry and Materials Innovation) is set to accelerate computational bottlenecks in chemical and materials discovery workflows. As AI models and simulations often run inefficiently on GPUs, this initiative aims to help researchers harness AI's full potential. This talk covers how ALCHEMI focuses on: MLIP-accelerated atomistic simulation: Including geometry relaxation, conformer search, molecular dynamics, and transition state search. MLIP active learning: Utilizing automated workflows for fine-tuning Machine Learning Interatomic Potentials. GNN-enabled property prediction: Targeted at molecules, polymers, and formulations. NVIDIA NIM Microservices: Serving as building blocks for end-to-end, AI-accelerated R&D workflows in molecular discovery and formulation optimization. Seminar Details Series: Bakar Institute of Digital Materials for the Planet (BIDMaP) Seminar Series Location: UC Berkeley Learn more about BIDMaP: https://bidmap.berkeley.edu/seminars-...