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Publications
Proceedings
2022 Annual Meeting
Computational Molecular Science and Engineering Forum
Honorary sessions for Keith Gubbins' 85th birthday (Invited Only)
2022 Annual Meeting
Session: Honorary sessions for Keith Gubbins' 85th birthday (Invited Only)
Chair
Kaihang Shi
, Northwestern University
Co-Chair
Liangliang Huang
, University of Oklahoma
Presentations
03:30 PM
Adiabatic motion and statistical mechanics via mass-zero constrained dynamics
Giovanni Ciccotti
03:50 PM
(383a) Computational Design of Peptides As Biomarkers, Sensors, Detectors and Drugs
Carol Hall
04:10 PM
(383c) Capillary Condensation and Hysteresis in Nanoporous Materials: New Simulations and New Insights
Randall Snurr, Zhao Li
04:30 PM
(383d) Robust Phase Equilibria in Reactive Non-Ionic and Ionic Systems Relevant to Pharmaceutical Applications
Amparo Galindo
04:50 PM
(383e) Charting the Design Space of Chemically-Heterogeneous Surfaces That Manipulate Water-Mediated Interactions
M. Scott Shell
05:10 PM
(383f) Wetting and Electrowetting of Polyelectrolyte Complex Coacervates on Solid Surfaces
Zhen-Gang Wang, Christopher Balzer, Pengfei Zhang
05:30 PM
(383g) Free Energy Barriers for Anti-Freeze Protein Engulfment: A Model for the Effects of Supercooling, Footprint Size, and Neighbor Distances
Baron Peters, Hossam Farag