Results 271 to 280 of about 142,824 (305)

Machine-learned potentials for next-generation matter simulations

Nature Materials, 2021
Pascal Friederich, Florian Häse, Jonny Proppe   +2 more
exaly  

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
exaly  

Methanol Combustion Simulation via CFD

2017
Methanol combustion cantake place in various mediums ranging from internal combustion engines toburners and such. Consequently combustion efficiency and the dimensional systemcharacteristics vary from system to system. Recent researches are going on toidentify these aforementioned characteristics. Present paper is a part of sucheffort.
openaire   +1 more source

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
exaly  

CFD Simulations for Airfoil Polars

2021
Nilay Sezer-Uzol, Oğuz Uzol, Ezgi Orbay-Akcengiz   +2 more
openaire   +1 more source

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
exaly  

Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields

Chemical Reviews, 2019
Dmitry Bedrov, Jean-Philip Piquemal, Oleg Borodin   +2 more
exaly  

RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview

Chemical Reviews, 2018
Jiřı́ Šponer, Giovanni Bussi, Miroslav Krepl   +2 more
exaly  

Talon–P: CFD Simulations

AIAA AVIATION FORUM AND ASCEND 2025
Matthew C. Dean, Ben Derks, Jonathan Poggie   +2 more
openaire   +1 more source

Molecular Dynamics Simulations of Membrane Permeability

Chemical Reviews, 2019
Andreas Krämer, Richard W Pastor
exaly