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Papers matching “quantum sampling” 236

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How exascale computing can shape drug design: A perspective from multiscale QM/MM molecular dynamics simulations and machine learning-aided enhanced sampling algorithms
2024 Current Opinion in Structural Biology review Computer Science Computational Drug Discovery Methods Open access

Giulia Rossetti, Davide Mandelli

20

citations
Conformational sampling and large amplitude motion of methyl valerate
2021 Physical Chemistry Chemical Physics article Chemistry Molecular Spectroscopy and Structure Open access

Ha Vinh Lam Nguyen, Maike Andresen, Wolfgang Stahl

8

citations
CREST—A program for the exploration of low-energy molecular chemical space
2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 2 patents

Philipp Pracht, Stefan Grimme, Christoph Bannwarth, Fabian Bohle, Sebastian Ehlert, Gereon Feldmann, +7 more

573

citations
Multiplicative weights update method
2025 Cambridge University Press eBooks book-chapter Computer Science Quantum Computing Algorithms and Architecture Open access

Sam McArdle, Mario Berta, Chi-Fang Chen, Connor T. Hann, Aleksander Kubica, Grant Salton, +1 more

1

citations
Free energies at QM accuracy from force fields via multimap targeted estimation
2023 Proceedings of the National Academy of Sciences article Computer Science Computational Drug Discovery Methods Open access

Andrea Rizzi, Paolo Carloni, Michele Parrinello

19

citations
MetalDock: An Open Access Docking Tool for Easy and Reproducible Docking of Metal Complexes
2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access

Matthijs L. A. Hakkennes, Francesco Buda, Sylvestre A. Bonnet

44

citations
MetalDock: an open access docking tool for easy and reproducible docking of metal complexes
2023 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Matthijs L. A. Hakkennes, Francesco Buda, Sylvestre A. Bonnet

1

citations
Wagner’s Algorithm Provably Runs in Subexponential Time for $$\textrm{SIS}^\infty $$
2025 Lecture notes in computer science conference-paper Computer Science Cryptography and Data Security Open access

Léo Ducas, Lynn Engelberts, Johanna Loyer

2

citations
One-Shot Multiple Access Channel Simulation
2026 IEEE Transactions on Information Theory article Computer Science Quantum Information and Cryptography Open access

Aditya Nema, Sreejith Sreekumar, Mario Berta

0

citations
One-Shot Multiple Access Channel Simulation
2024 IEEE International Symposium on Information Theory (ISIT) conference-paper Computer Science Quantum Information and Cryptography

Aditya Nema, Sreejith Sreekumar, Mario Berta

5

citations
Fresh Extraction of the Proton Charge Radius from Electron Scattering
2021 Physical Review Letters article Physics and Astronomy Quantum Chromodynamics and Particle Interactions Open access

Zhu-Fang Cui, Daniele Binosi, Craig D. Roberts, Sebastian M. Schmidt

41

citations
Pion charge radius from pion+electron elastic scattering data
2021 Physics Letters B article Physics and Astronomy Quantum Chromodynamics and Particle Interactions Open access

Zhu-Fang Cui, Daniele Binosi, Craig D. Roberts, Sebastian M. Schmidt

28

citations
Pauli Radius of the Proton
2021 Chinese Physics Letters article Physics and Astronomy Quantum Chromodynamics and Particle Interactions Open access

Zhu-Fang Cui, Daniele Binosi, Craig D. Roberts, Sebastian M. Schmidt

10

citations
Index
2025 Cambridge University Press eBooks paratext Computer Science Quantum Computing Algorithms and Architecture Open access

Sam McArdle, Mario Berta, Chi-Fang Chen, Connor T. Hann, Aleksander Kubica, Grant Salton, +1 more

0

citations
Nonlinear effects in magnetic resonance localized spectroscopy and images
2025 Progress in Nuclear Magnetic Resonance Spectroscopy article Medicine Advanced MRI Techniques and Applications Open access

Dan E. Demco, Ana‐Maria Oros‐Peusquens, Nadim Jon Shah

2

citations
Optimal Fidelity Estimation from Binary Measurements for Discrete and Continuous Variable Systems
2025 PRX Quantum article Computer Science Quantum Information and Cryptography Open access

Omar Fawzi

2

citations
Optimal Fidelity Estimation from Binary Measurements for Discrete and Continuous Variable Systems
2024 arXiv (Cornell University) preprint Computer Science Quantum Information and Cryptography Open access

Omar Fawzi, Aadil Oufkir, Robert Salzmann

0

citations
Millikelvin confocal microscope with free-space access and high-frequency electrical control
2024 Review of Scientific Instruments article Physics and Astronomy Quantum and electron transport phenomena cited by 1 patent

Thomas Descamps, Feng Liu, Tobias Hangleiter, Sebastian Kindel, Beata E. Kardynal, Hendrik Bluhm

1

citations
Millikelvin confocal microscope with free-space access and high-frequency electrical control
2024 arXiv (Cornell University) preprint Physics and Astronomy Quantum and electron transport phenomena Open access

Thomas Descamps, Feng Liu, Tobias Hangleiter, Sebastian Kindel, Beata E. Kardynal, Hendrik Bluhm

0

citations
Repairability of Inexact Solvers in Recursive State Estimation with Machine Learning
2026 arXiv (Cornell University) preprint Computer Science Target Tracking and Data Fusion in Sensor Networks Open access

Yanjun Ji, Dennis Willsch, Orkun Şensebat, Priyanka Arkalgud Ganeshamurthy, Zhi Pei, M. Sahnawaz Alam, +5 more

0

citations
Efficient and robust estimation of many-qubit Hamiltonians
2024 Nature Communications article Computer Science Quantum Computing Algorithms and Architecture Open access

Daniel Stilck França, Liubov A. Markovich, V. V. Dobrovitski, Albert H. Werner, Johannes Borregaard

31

citations
Auditing Syndrome-to-Decoder Mappings for Repetition, Surface, CSS, and Digitized-GKP Interfaces
2026 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access

Dennis Delali Kwesi Wayo, Chinonso Onah, Rodrigo Alves Dias, Leonardo Goliatt, Sven Groppe

0

citations
Multimap targeted free energy estimation
2023 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access

Andrea Rizzi, Paolo Carloni, Michele Parrinello

3

citations
Advances in predicting ligand binding poses and affinities through multiscale molecular simulations
2025 RWTH Publications (RWTH Aachen) dissertation Computer Science Computational Drug Discovery Methods Open access

Gia Linh Hoang

0

citations
Tapping-Mode SQUID-on-Tip Microscopy with Proximity Josephson Junctions
2026 Nano Letters article Physics and Astronomy Superconducting and THz Device Technology Open access

Matthijs Rog, Tycho J. Blom, Daan B Boltje, Jimi D. de Haan, Remko Fermin, Jiasen Niu, +3 more

3

citations