Welcome to the Simons Center at NYU!

Our mission is to promote:

Science

of computational, physics-based approaches to solving problems.

Collaboration

across the global computational physical chemistry community.

Inclusion

to expand and strengthen the diversity of participants in this field.

NYC AI4Chemistry Summit 2025

NYC AI4Chemistry Summit 2025 held Jun 25 – 27, spurred advances in AI applications in chemistry, spanning topics in biology, materials, and organic/small molecule applications as well as relevant advances in AI and machine learning. The Summit brought together an audience of 250 drawn from academia and industry. See the entire event description here.

Simons Symposium: Challenges in Biomolecular Simulations, May 6-8, 2024

This Symposium provided a broad perspective on the history and state-of-the-art in biomolecular simulations and discuss anticipated progress and challenges for the future. The event featured Invited Talks by leading researchers in the field, a Poster Session, Contributed Talks, and networking opportunities throughout.See the entire event description here.

Symposium on Molecular Mechanisms of Mechanosensing, Oct 20, 2023

Co-sponsored by the Simons Center and NYU Department of Chemistry, and organized by Glen Hocky, this symposium brought together leading researchers at this important intersection of chemistry, biology and physics. See the entire event description here.

Simons Center International Workshop on
Nuclear Quantum Effects in Chemistry, June 12-14, 2023

This three-day workshop brought together the international computational physical chemistry community for Invited Talks by leading scholars in the field. A Poster Session provided further opportunity to learn and interact. The third day of the workshop was devoted to Contributed Talks delivered by the next generation of researchers. See the entire event description here.

Inaugural Symposium, Oct 7, 2022

Conference photo Frontiers in Computational Chemistry: The NYU Simons Center Inaugural Symposium featured talks by leading scholars in the field, networking opportunities, and a Poster Session.

The day began with opening remarks by NYU President Andrew Hamilton. Lectures covered a broad array of topics and included ample time for questions and audience discussion. Breaks through the day fostered collaborative exchange among attendees. It was a very successful and rewarding day.

See the entire event description here.