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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 -
Impact of Cyber-attacks on EV Charging Coordination: The Case of Single Point of Failure2022 Global Power, Energy and Communication Conference conference-paper Engineering Smart Grid Security and Resilience Open access
Erdem Gümrükcü, Ali Arsalan, Grace Muriithi, Charukeshi Joglekar, Ahmed Aboulebdeh, Mustafa Alparslan Zehir, +2 more
46citations -
MedShapeNet – a large-scale dataset of 3D medical shapes for computer vision2024 Biomedizinische Technik/Biomedical Engineering article Engineering 3D Shape Modeling and Analysis Open access
Jianning Li, Zongwei Zhou, Jiancheng Yang, Antonio Pepe, Christina Gsaxner, Gijs Luijten, +93 more
36citations -
openFuelCell2: A new computational tool for fuel cells, electrolyzers, and other electrochemical devices and processes2024 Computer Physics Communications article Engineering Fuel Cells and Related Materials Open access
Shidong Zhang, Steffen Hess, Holger Marschall, Uwe Reimer, Steven Beale, Werner Lehnert
33citations -
REMIX SPH – improving mixing in smoothed particle hydrodynamics simulations using a generalised, material-independent approach2025 Journal of Computational Physics article Engineering Fluid Dynamics Simulations and Interactions Open access
Thomas D. Sandnes, V. R. Eke, Jacob Kegerreis, R. Massey, Sergio Ruiz-Bonilla, Matthieu Schaller, +1 more
16citations -
Dedicated diffusion phantoms for the investigation of free water elimination and mapping: insights into the influence of T2 relaxation properties2020 NMR in Biomedicine article Medicine Advanced Neuroimaging Techniques and Applications Open access
Ezequiel Farrher, Farida Grinberg, Li‐Wei Kuo, Kuan‐Hung Cho, Richard P. Buschbeck, Ming‐Jye Chen, +3 more
11citations -
Optimistic NAUTILUS navigator for multiobjective optimization with costly function evaluations2022 Journal of Global Optimization article Computer Science Advanced Multi-Objective Optimization Algorithms Open access
Bhupinder Singh Saini, Michael Emmerich, Atanu Mazumdar, Bekir Afşar, Babooshka Shavazipour, Kaisa Miettinen
5citations -
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 -
Novel immersed boundary method for fluid-structure interaction of compressible flow2022 European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS) conference-paper Engineering Lattice Boltzmann Simulation Studies Open access
F. Kristoffersen, M. Larsson, S. Johnsen, W. Schröder, B. Müller
1citations -
Coupled Simulation Methodology for In-Memory Computing Systems2026 IEEE Journal on Exploratory Solid-State Computational Devices and Circuits article Engineering Advanced Memory and Neural Computing Open access
Daniel Schön, Christian Owusu-Afriyie, Quang Huy Nguyen, Rainer Leupers, Stephan Menzel, Melvin Galicia
1citations