Papers matching “quantum computing simulation” 67
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Quantum mechanical investigation on the formation of silicate building blocks on interstellar ice mantles2025 Monthly Notices of the Royal Astronomical Society article Physics and Astronomy Astrophysics and Star Formation Studies Open access
Andreha Gelli, Jessica Perrero, Stefano Ferrero, Joan Enrique-Romero, Cecilia Ceccarelli, Piero Ugliengo, +2 more
1citations -
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 -
Coarse-Grained Approach to Simulate Signatures of Excitation Energy Transfer in Two-Dimensional Electronic Spectroscopy of Large Molecular Systems2024 Journal of Chemical Theory and Computation article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access
Kai Zhong, Hoàng Long Nguyễn, Thanh Nhut, Howe‐Siang Tan, Jasper Knoester, Thomas L. C. Jansen
13citations -
Skalierbarer Qubit-Shuttle über Si/SiGe Quantenbus und T-junction : Leistungscharakterisierung von Heterostrukturen und Untersuchung elektrostatischer Potentialstörungen durch Elektronen-Shuttle0citations
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The AiiDA-Spirit Plugin for Automated Spin-Dynamics Simulations and Multi-Scale Modeling Based on First-Principles Calculations2022 Frontiers in Materials article Physics and Astronomy Magnetic properties of thin films Open access
Philipp Rüßmann, Jordi Ribas Sobreviela, Moritz Sallermann, Markus Hoffmann, Florian Rhiem, Stefan Blügel
4citations -
The AiiDA-Spirit plugin for automated spin-dynamics simulations and multi-scale modelling based on first-principles calculations2021 JuSER (Forschungszentrum Jülich) dataset Physics and Astronomy Magnetic properties of thin films Open access
Philipp Rüßmann, Jordi Ribas Sobreviela, Moritz Sallermann, Markus Hoffmann, Florian Rhiem, Stefan Blügel
1citations -
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 -
High-throughput magnetic co-doping and design of exchange interactions in topological insulators2024 Physical Review Materials article Physics and Astronomy Topological Materials and Phenomena Open access
Rubel Mozumder, Johannes Wasmer, David Antognini Silva, Stefan Blügel, Philipp Rüßmann
5citations -
MiMiC: A high-performance framework for multiscale molecular dynamics simulations2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Andrej Antalík, Andrea Levy, Sonata Kvedaravičiūtė, Sophia K. Johnson, David Carrasco‐Busturia, Bharath Raghavan, +10 more
12citations -
Anharmonicity and deuteration in the IR absorption and emission spectrum of phenylacetylene2023 Molecular Physics article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access
Vincent J. Esposito, Piero Ferrari, Wybren Jan Buma, Christiaan Boersma, Cameron J. Mackie, Alessandra Candian, +2 more
25citations -
The SpinBus Architecture: Scaling Spin Qubits with Electron Shuttling2023 arXiv (Cornell University) preprint Physics and Astronomy Quantum and electron transport phenomena Open access
Matthias Künne, Alexander Willmes, Max Oberländer, Christian Gorjaew, Julian D. Teske, Eugen Kammerloher, +5 more
3citations