Papers matching “quantum computing simulation” 299
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Photoluminescence of Fully Inorganic Colloidal Gold Nanocluster and Their Manipulation Using Surface Charge Effects2021 Advanced Materials article Materials Science Nanocluster Synthesis and Applications Open access
Anna Rosa Ziefuß, Torben Steenbock, Dominik Benner, Anton Plech, Jörg Göttlicher, Melissa Teubner, +12 more
44citations -
The SpinBus architecture for scaling spin qubits with electron shuttling2024 Nature Communications article Physics and Astronomy Quantum and electron transport phenomena Open access cited by 1 patent
Matthias Künne, Alexander Willmes, Max Oberländer, Christian Gorjaew, Julian D. Teske, Eugen Kammerloher, +5 more
66citations -
Observation of Dark States in Two-Dimensional Electronic Spectra of Chlorosomes2024 The Journal of Physical Chemistry B article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access
Vesna Erić, Xinmeng Li, Lolita Dsouza, Alfred R. Holzwarth, Francesco Buda, G. J. A. Sevink, +2 more
15citations -
Improved ab initio molecular dynamics–based vibrational spectroscopy for indirect hard modeling for bulk-phase vibrational spectroscopy using vibrational scaling and sampling diagnostics2026 The Journal of Chemical Physics article Physics and Astronomy Spectroscopy and Quantum Chemical Studies
Akshdeep Singh, Marvin Kasterke, Mansi Aliveli, Thorsten Brands, Hans-Jürgen Koß, Jörn Viell, +1 more
1citations -
Automatic Potential Energy Surface Exploration by Accelerated Reactive Molecular Dynamics Simulations: From Pyrolysis to Oxidation Chemistry2023 The Journal of Physical Chemistry A article Chemistry Advanced Physical and Chemical Molecular Interactions
Wassja A. Kopp, Can Huang, Yuqing Zhao, Peiyang Yu, Felix Schmalz, Lukas Krep, +1 more
11citations -
Advancing density functional tight-binding method for large organic molecules through equivariant neural networks2026 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Leonardo Rafael Medrano Sandonas, Mirela Puleva, Zekiye Erarslan, Ricardo Parra Payano, Martin Stöhr, Gianaurelio Cuniberti, +1 more
9citations -
A Multiscale Approach for Estimating Permeability and Migration of Large Permeants through Poly(Phenylene Ether)2021 Macromolecular Theory and Simulations article Chemistry Advanced Physical and Chemical Molecular Interactions
Augustinus J. M. Sweere, Bhaskar Patham, Vijayakumar Sugur, Jan‐Willem Handgraaf, Patrick A. Rodgers
1citations