Recent Advances in Interfacial and Nano Particle Simulation Methods

Chair(s):
Hatch, H., NIST

Recent Advances in Interfacial and Nano Particle Simulation Methods

Papers:
8:00 AM
(659a) Rigid Seeding: A Computationally Efficient Method to Study Heterogeneous Nucleation in Molecular Simulations
8:30 AM
(659b) Theoretical and Computational Investigation of the Impact of Free Interfaces on Ice Nucleation
8:45 AM
(659c) Evaluation of the Interface Potential Via a Force-Based Virtual Box Approach within the Isothermal-Isobaric Ensemble
9:00 AM
(659d) Free Energy Calculations Along Entropic Pathways: Application to Capillary Phase Transitions
9:15 AM
(659e) Determining the Predictability of Clusters Expansions By Quantifying Their Associated Errors
9:30 AM
(659f) Development of Physics-Informed Neural Network Potentials for Molecular Simulations
9:45 AM
(174e) Molecular Dynamics Simulations to Study the Tribological Behavior of Gel-Forming Polymers for Cement-Based 3D Printing Applications
10:00 AM
(659h) Nano-Thermodynamic Model Based on Distribution Coefficients for Understanding Segregation in Metal Alloy Nano Particles
10:15 AM
(659i) Computing Solid-Liquid Interfacial Free-Energy Via Thermodynamic Integration
Topics: 
Computational Molecular Engineering
Interfacial Phenomena

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