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Quantum mechanics/molecular mechanics simulations of proton transfer processes in vesicular glutamate and D-galactonate transporters2026 Elsevier eBooks book-chapter Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics
Marta Devodier, Samira Gholami, Natalia Dmitrieva, Mercedes Alfonso‐Prieto, Christoph Fahlke, Paolo Carloni
0citations -
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 -
Decoder Dependence in Surface-Code Threshold Estimation with Native Gottesman-Kitaev-Preskill Digitization and Parallelized Sampling2026 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access
Dennis Delali Kwesi Wayo, Chinonso Onah, Leonardo Goliatt, Sven Groppe
0citations -
Supporting Information for "Improved Ab Initio Molecular Dynamics–Based Vibrational Spectroscopy for Indirect Hard Modeling for Bulk-Phase Vibrational Spectroscopy using Vibrational Scaling and Sampling Diagnostics"2026 Zenodo (CERN European Organization for Nuclear Research) article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access
Akshdeep Singh, Marvin Kasterke, Mansi Aliveli, Joern Viell, Thorsten Brands, Hans-Jürgen Koß, +1 more
0citations -
Decoder Dependence in Surface-Code Threshold Estimation with Native Gottesman-Kitaev-Preskill Digitization and Parallelized Sampling2026 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access
Dennis Delali Kwesi Wayo, Chinonso Onah, Leonardo Goliatt, Sven Groppe
0citations -
Supporting Information for "Improved Ab Initio Molecular Dynamics–Based Vibrational Spectroscopy for Indirect Hard Modeling for Bulk-Phase Vibrational Spectroscopy using Vibrational Scaling and Sampling Diagnostics"2026 Zenodo (CERN European Organization for Nuclear Research) article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access
Akshdeep Singh, Marvin Kasterke, Mansi Aliveli, Joern Viell, Thorsten Brands, Hans‐Jürgen Koß, +1 more
0citations -
Tensor Train Optimization for Conformational Sampling of Organic Molecules2025 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access
Christopher Zurek, Ruslan A. Mallaev, Alexander C. Paul, Nils van Staalduinen, Philipp Pracht, Roman Ellerbrock, +1 more
9citations