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Journal of Chemical Theory and Computation|January 25, 2023
Constructing Collective Variables Using Invariant Learned RepresentationsMartin Šípka, Andreas Erlebach, Lukáš Grajciar
Nanoscale|April 3, 2024
Migration of zeolite-encapsulated subnanometre platinum clusters via reactive neural network potentialsChristopher J Heard, Lukáš Grajciar, Andreas Erlebach
Physical Chemistry Chemical Physics : PCCP|September 14, 2017
Structure and crystallization of SiO2 and B2O3 doped lithium disilicate glasses from theory and experimentAndreas Erlebach, Katrin Thieme, Marek Sierka, et al.
Journal of Computational Chemistry|July 28, 2017
Ab Initio energetics of SiO bond cleavageCarolin Hühn, Andreas Erlebach, Dorothea Mey, et al.
Nanoscale|January 15, 2015
Structure evolution of nanoparticulate Fe2O3Andreas Erlebach, Heinz-Dieter Kurland, Janet Grabow, et al.
Nature Communications|May 17, 2024
A reactive neural network framework for water-loaded acidic zeolitesAndreas Erlebach, Martin Šípka, Indranil Saha, et al.
Physical Chemistry Chemical Physics : PCCP|November 15, 2021
Phase stability determination of negative thermal expansion silicates by theory and experimentAndreas Erlebach, Ghada Belhadj Hassine, Christian Thieme, et al.
Materials (Basel, Switzerland)|July 2, 2021
The Structure of Gd3+-Doped Li2O and K2O Containing Aluminosilicate Glasses from Molecular Dynamics SimulationsMohamed Zekri, Andreas Herrmann, Andreas Erlebach, et al.
Materials (Basel, Switzerland)|September 23, 2018
Structure Prediction of Rare Earth Doped BaO and MgO Containing Aluminosilicate Glasses⁻the Model Case of Gd₂O₃Mohamed Zekri, Andreas Erlebach, Andreas Herrmann, et al.
Physical Chemistry Chemical Physics : PCCP|August 12, 2020
Thermomechanical properties of zero thermal expansion materials from theory and experimentsAndreas Erlebach, Christian Thieme, Carolin Müller, et al.
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