2022 Annual Meeting

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

Chair

Shell, M. S., UC Santa Barbara

Co-Chair

Nangia, S., Syracuse University

Presentations

12:30 PM

(297a) Embedding Stereoelectronic Effects into Molecular Representations for Machine Learning
Gomes, G.

12:53 PM

(297b) Predicting Solubility Limits of Organic Solutes for a Wide Range of Solvents and Temperatures Using Machine Learning and Thermodynamics
Chung, Y., Green, W., Vermeire, F.

01:16 PM

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

01:39 PM

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

02:02 PM

(297e) Thermodynamic Stability of Multimetallic Nanoparticles
Mpourmpakis, G.

02:25 PM

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