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5 results in Keywords: finite element method

SHORYUKEN: An Open-Source Software Package for Calculating Nonlocal Exchange Interactions in Nanowires

Yuan Chen, Simon Sandhofer, Bryan Wong

Version 1 posted 05 April 2024

79

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Chemical Engineering and Industrial Chemistry

Topology optimization of porous electrodes for electrochemical flow reactors using the finite element method and triply periodic minimal surfaces

Mojtaba Barzegari, Antoni Forner-Cuenca

Version 1 posted 21 October 2024

131

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Theoretical and Computational Chemistry

MISTER-T: An Open-Source Software Package for Quantum Optimal Control of Multi-Electron Systems on Arbitrary Geometries

Yuan Chen, Mahmut Okyay, Bryan Wong

Version 1 posted 17 May 2024

96

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Physical Chemistry

Homogenization of Continuum-Scale Transport Properties from Molecular Dynamics Simulations: An Application to Aqueous-Phase Methane Diffusion in Silicate Channels

Tom Pace, Hadi Rahmaninejad, Bin Sun, Peter Kekenes-Huskey

Version 2 posted 28 July 2021

456

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HADOKEN: An Open-Source Software Package for Predicting Electron Confinement Effects in Various Nanowire Geometries and Configurations

Bryan Wong, Cameron Chevalier

Version 2 posted 11 March 2022

570

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