Results 331 to 340 of about 5,542,291 (347)

Microscopic Simulations of Electrochemical Double-Layer Capacitors

Chemical Reviews, 2022
Guillaume Jeanmairet, Benjamin Rotenberg, Mathieu Salanne   +2 more
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Improving the Accuracy of Atomistic Simulations of the Electrochemical Interface

Chemical Reviews, 2022
Ravishankar Sundararaman, Kathleen A Schwarz   +1 more
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Machine-learned potentials for next-generation matter simulations

Nature Materials, 2021
Pascal Friederich, Florian Häse, Jonny Proppe   +2 more
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Orbital-Free Density Functional Theory: An Attractive Electronic Structure Method for Large-Scale First-Principles Simulations

Chemical Reviews, 2023
Wenhui Mi, S B Trickey, Michele Pavanello   +2 more
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Progress in CFD Simulations of Fluidized Beds for Chemical and Energy Process Engineering

Progress in Energy and Combustion Science, 2022
Falah Alobaid, Naser Almohammed, Massoud Massoudi Farid   +2 more
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Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations

Chemical Reviews, 2016
Gabriele Cesare Sosso, Ji Chen, Stephen J Cox   +2 more
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Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields

Chemical Reviews, 2019
Dmitry Bedrov, Jean-Philip Piquemal, Oleg Borodin   +2 more
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RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview

Chemical Reviews, 2018
Jiřı́ Šponer, Giovanni Bussi, Miroslav Krepl   +2 more
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Molecular Dynamics Simulations of Membrane Permeability

Chemical Reviews, 2019
Andreas Krämer, Richard W Pastor
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Multiscale Simulations of Biological Membranes: The Challenge To Understand Biological Phenomena in a Living Substance

Chemical Reviews, 2019
Giray Enkavi, Matti A Javanainen, Waldemar Kulig   +2 more
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