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Multiscale Modelling

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3 results in Keywords: Multiscale Modelling

Theoretical and Computational Chemistry

Multiscale Simulations of Singlet and Triplet Exciton Dynamics in Disordered Molecular Systems based on Many-Body Green’s Functions Theory

Jens Wehner, Björn Baumeier

Version 1 posted 19 April 2019

753

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Materials Science

PerQueue: Managing Complex and Dynamic Workflows

Benjamin Sjølin, William Hansen, Armando Antonio Morin-Martinez, Martin Hoffmann Petersen, Laura Hannemose Rieger, Tejs Vegge, Juan Maria Garcia-Lastra, Ivano Eligio Castelli

Version 1 posted 16 May 2024

212

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Theoretical and Computational Chemistry

KVIK Optimiser - An Enhanced ReaxFF Force Field Training Approach

Daniel Gaissmaier, Matthias van den Borg, Donato Fantauzzi, Timo Jacob

Version 2 posted 04 July 2022

740

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1

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