NYU Tandon ECE Seminar Series on Modern AI: Transforming Scientific Innovation with AI

Speaker: Prof. Max Welling University of Amsterdam

Location: 370 Jay Street, Room 825

Date: Tuesday, May 6, 2025

We are witnessing the emergence of new powerful tools in the molecular sciences based on AI, such as Machine Learned Force Fields and AlphaFold. In this talk I will report on some interesting progress the field has been making in replacing some traditional (quantum) chemistry methods with accelerated “ML surrogate” models, and reversely, how principles from physics and mathematics have transformed the field of ML. These new tools, including generative model, have the potential to usher in an era of "precision materials”. I will report on the platform we are building at CuspAI to use these tools to accelerate materials design. Using generative models for materials, a multi-fidelity stack of AI accelerate (surrogate) evaluation tools, LLMs to search through scientific literature and an AI agent to orchestrate and optimize the search process, we transform the entire pipeline of materials design.