Latest

• Beyond Pairwise Interactions: How Interfacial Polarization Modulates Water Flow in Graphene Nanochannels
• Explicit Modeling of Electronic Polarization Reveals Water-Mediated Screening of Ion Adsorption at Hexagonal Boron Nitride Interfaces
• Formulation of Polarizable Force Fields to Model Simple Ionic Liquid/Graphite Interfaces
• Induced Chirality and Vibrational Optical Activity in an Ionic-Liquid Anion
• Lessons Learned on Obtaining Reliable Dynamic Properties for Ionic Liquids
• A01
• A03
• A05
• A Hybrid Monte Carlo study of argon solidification
• Coordination Behavior of a Confined Ionic Liquid in Carbon Nanotubes from Molecular Dynamics Simulations