Papers matching “quantum computing simulation” 299
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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 -
Resonant Magnetoelastic Coupling Between Magnetic Vortex and Lattice Breathing Modes2023 IEEE International Magnetic Conference - Short Papers (INTERMAG Short Papers) conference-paper Physics and Astronomy Mechanical and Optical Resonators Open access
Artem V. Bondarenko, Marios Kounalakis, Silvia Viola Kusminskiy, Gerrit E. W. Bauer, Yaroslav M. Blanter
0citations -
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 -
Refining Ligand Poses in RNA/Ligand Complexes of Pharmaceutical Relevance: A Perspective by QM/MM Simulations and NMR Measurements2025 The Journal of Physical Chemistry Letters article Computer Science Computational Drug Discovery Methods Open access
Gia Linh Hoang, Manuel Röck, Aldo Tancredi, Thomas Magauer, Davide Mandelli, Jörg Bernhard Schulz, +4 more
4citations -
European Association of Cardiothoracic Surgeons future view on robotic cardiac surgery in Europe2024 European Journal of Cardio-Thoracic Surgery article Medicine Cardiac and Coronary Surgery Techniques Open access
Wouter Oosterlinck, Monica Gianoli, Meindert Palmen, Thierry A Folliguet, Johannes O. Bonatti, Alfonso Agnino, +17 more
6citations -
SALTED: a symmetry-adapted machine-learning program for predicting electron-densities in molecules and materials2026 arXiv (Cornell University) preprint Materials Science Machine Learning in Materials Science Open access
Zekun Lou, Alan M. Lewis, T. Bernhard, Lukas Seifert, Agustín Salcedo, Florian Kleemiss, +2 more
0citations