Papers matching “quantum computing simulation” 155
Not finding it? Sign in to also search OpenAlex live.
-
Dynamic Modeling for Synthesis of Tailored Microgels with Charged Domains2024 Industrial & Engineering Chemistry Research article Biochemistry, Genetics and Molecular Biology Hydrogels: synthesis, properties, applications
Luise F. Kaven, Nadja Wolter, Thomas Nevolianis, Andrij Pich, Kai O. Leonhard, Adel Mhamdi, +1 more
1citations -
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 -
Structure over States: Planarity, Not Energy, Dictates Photoactivation in Ru(II) PACT Agents2025 Journal of the American Chemical Society article Chemistry Photochemistry and Electron Transfer Studies Open access
Matthijs L. A. Hakkennes, Irene Regeni, Yurii Husiev, Valeriia D. Andreeva, Maxime A. Siegler, Francesco Buda, +1 more
9citations -
Photoinduced Electron Injection in a Fully Solvated Dye-Sensitized Photoanode: A Dynamical Semiempirical Study2020 The Journal of Physical Chemistry C article Energy TiO2 Photocatalysis and Solar Cells Open access
Jan Paul Menzel, Anastasios Papadopoulos, Jelena Belić, Huub J. M. de Groot, Lucas Visscher, Francesco Buda
20citations -
From membrane damage to growth inhibition: The central role of photosynthetic redox homeostasis in nanoplastic toxicity to tomato2026 Environmental Chemistry and Ecotoxicology article Environmental Science Microplastics and Plastic Pollution Open access
Wenwen Li, Hua Yu, Xiaodong Sun, Tao Jia, Jiawen Pan, Yusong Zhou, +7 more
0citations -
Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding2025 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies Open access
Abylay Katbashev, Marcel Stahn, Thomas Rose, Vahideh Alizadeh, Marvin Friede, Christoph Plett, +2 more
25citations