2022 Annual Meeting

Session:  Spotlights in Thermodynamics and Computational Molecular Science (Invited Talks)

Chair

M. Scott Shell, UC Santa Barbara

Co-Chair

Shikha Nangia, Syracuse University

Presentations

12:30 PM

(297a) Embedding Stereoelectronic Effects into Molecular Representations for Machine Learning
Gabe Gomes

12:53 PM

(297b) Predicting Solubility Limits of Organic Solutes for a Wide Range of Solvents and Temperatures Using Machine Learning and Thermodynamics
Yunsie Chung, William Green, Florence Vermeire

01:16 PM

(297c) Towards a Universal Adsorption Model Using Machine Learning: Motivation, Progress and Challenges
Diego Gomez Gualdron

01:39 PM

(297d) Atomistic Simulations of RNA Folding in Bulk Aqueous Solutions and under Confinement
Gul Zerze

02:02 PM

(297e) Thermodynamic Stability of Multimetallic Nanoparticles
Giannis Mpourmpakis

02:25 PM

(297f) Probing Realistic Water-2D Material Interfaces Via Combined Quantum and Classical Simulations
Ananth Govind Rajan