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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 -
Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations2023 ChemRxiv preprint Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access
Bharath Raghavan, Mirko Paulikat, Katya Ahmad, Lara Callea, Andrea Rizzi, Emiliano Ippoliti, +4 more
1citations -
The QUATRO Application Suite: Quantum Computing for Models of Human Cognition2023 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access
Raghavendra Pradyumna Pothukuchi, Leon Lufkin, Yu Jun Shen, Alejandro Simon, Rome Thorstenson, Bernardo Eilert Trevisan, +8 more
2citations -
Editorial: Neuroscience, computing, performance, and benchmarks: Why it matters to neuroscience how fast we can compute2023 Frontiers in Neuroinformatics editorial Engineering Advanced Memory and Neural Computing Open access
James B. Aimone, Omar Awile, Markus Diesmann, James C. Knight, Thomas Nowotny, Felix Schürmann
4citations -
Adiabatic Quantum Kitchen Sinks with Parallel Annealing for Remote Sensing Regression Problems2023 IEEE International Geoscience and Remote Sensing Symposium (IGARSS) conference-paper Computer Science Quantum Computing Algorithms and Architecture
Edoardo Pasetto, Morris Riedel, Kristel F. L. Michielsen, Gabriele Cavallaro
1citations -
The effect of the number of subproblem iterations in partitioned fluid-structure interaction simulation2023 International Conference on Computational Methods for Coupled Problems in Science and Engineering (COUPLED PROBLEMS) conference-paper Engineering Advanced Numerical Methods in Computational Mathematics Open access
Nicolas Delaissé, Thomas Spenke, Norbert Hosters, Joris Degroote
1citations -
Data frame aware optimized Octomap-based dynamic object detection and removal in Mobile Laser Scanning data2023 Alexandria Engineering Journal article Earth and Planetary Sciences 3D Surveying and Cultural Heritage Open access
Zhenyu Liu, Peter van Oosterom, Jesús Balado, Arjen Swart, Bart Beers
10citations