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Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations2023 Journal of Chemical Information and Modeling article Physics and Astronomy Advanced Chemical Physics Studies Open access
Bharath Raghavan, Mirko Paulikat, Katya Ahmad, Lara Callea, Andrea Rizzi, Emiliano Ippoliti, +4 more
58citations -
Optimization of Si / Si -Ge heterostructures for large and robust valley splitting in silicon qubits2026 Physical Review Applied article Physics and Astronomy Quantum and electron transport phenomena Open access
Anonymous, Lasse Ermoneit, Lars R. Schreiber, Thomas Koprucki, Markus Kantner
5citations -
Shared Data and Algorithms for Deep Learning in Fundamental Physics2022 Computing and Software for Big Science article Physics and Astronomy Particle physics theoretical and experimental studies Open access
L. Benato, Erik Buhmann, Martin Erdmann, P. Fackeldey, Jonas Glombitza, N. M. Hartmann, +7 more
25citations -
MiMiC: Multiscale Modeling in Computational Chemistry2020 Frontiers in Molecular Biosciences article Physics and Astronomy Advanced Chemical Physics Studies Open access
Viacheslav Bolnykh, Jógvan Magnus Haugaard Olsen, Simone Meloni, Martin P. Bircher, Emiliano Ippoliti, Paolo Carloni, +1 more
10citations -
Introducing a microstructure-embedded autoencoder approach for reconstructing high-resolution solution field data from a reduced parametric space2024 Computational Mechanics article Physics and Astronomy Model Reduction and Neural Networks Open access
Rasoul Najafi Koopas, Shahed Rezaei, Natalie Rauter, Richard Ostwald, Rolf Lammering
8citations -
Shared Data and Algorithms for Deep Learning in Fundamental Physics2021 RWTH Publications (RWTH Aachen) article Physics and Astronomy Particle physics theoretical and experimental studies Open access
L. Benato, Erik Buhmann, Martin Erdmann, P. Fackeldey, Jonas Glombitza, Gregor Kasieczka, +4 more
0citations
10 results