Latest

• A multifidelity Monte Carlo approach for simulating the diffusion coefficient of water. I. Forward problem
• Building Nanoplastic Models for Molecular Calculations
• Carbon Polarization and Carbon Nanotube Stacking Impacts the Behavior of Water in Nanoconfinement
• Denaturation of Water in Alkaline Melts
• MakroLyzer: A Graph-Based Software to Comb through Molecular Hairballs using the Example of Nanoplastics
• 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
• A Hybrid Monte Carlo study of argon solidification
• Coordination Behavior of a Confined Ionic Liquid in Carbon Nanotubes from Molecular Dynamics Simulations
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• A03
• A05