Dear All,

I am pleased to invite you to submit contributions to a Focus Session on

Advances in AI/ML-Driven Sampling for Atomistic Simulations

that I am organizing at the APS March 2024 Meeting, which will be held in Minneapolis, March 3-8, 2024.  

In this focus session, we will consider the latest advances in the development and application of AI/ML methods to drive and accelerate sampling in atomistic molecular dynamics simulations.  

The topics considered in the Focus Session include, but not limited to

- AI/ML-based enhanced sampling methods for molecular dynamics and Monte Carlo simulations.

- AI/ML methods to identify and construct slow collective variables and reaction coordinates

This Focus Session is sponsored by the Topical Group on Data Science (GDS) and the Division of Chemical Physics (DCP).

Abstracts for contributed presentations should be submitted via the APS March 2024 Submission Portal:

https://march.aps.org/attendees-presenters/abstracts

To submit abstracts, select 05 Chemical Physics (DCP) and sub-category 05.01.08, or 23 Data Science (GDS) and sub-category 23.01.21.

The deadline for submitting abstracts is October 20th.

I would be happy to answer any questions about the Focus Session.

Best wishes,

Omar Valsson

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Dr. Omar Valsson

Assistant professor 

Theoretical and Computational Chemistry

Department of Chemistry

University of North Texas

http://www.valsson.info

@OmarValsson

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