Quantum Chemistry
9,662 papers
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 2833-2844 of 9,662
Quantum-Classical Auxiliary-Field Quantum Monte Carlo at the Edge of Practicability
Francesco Nappi, Matthew Kiser, Fedor Šimkovic
Quantum-Classical Effective Fragment Potential Embedding for Condensed-Phase Quantum Chemistry
Federico Zahariev, Vassiliki-Alexandra Glezakou, Mark S. Gordon
Quantum-Classical Fragmentation with the Effective Fragment Molecular Orbital Method
Federico Zahariev, Vassiliki-Alexandra Glezakou, Mark S. Gordon
Quantum-Classical Hierarchical Equations of Motion
Amartya Bose
Quantum-classical hybrid computation of electron transfer in a cryptochrome protein via VQE-PDFT and multiscale modeling.
Chen Y, Sheng Z, Li W, Zhang Y, Xu X, Huang JH, Li Y
Quantum-classical solvation hydrodynamics: Hamiltonian functionals and dissipation
François Gay-Balmaz, Cesare Tronci
Quantum-dot-based catalysts for electrochemical CO2 reduction: Structure–selectivity relationships and design principles
Pan Li, Ruixin Yang, Wenlei Zhu
Quantum-Electrodynamical Time-Dependent Density Functional Theory Description of Molecules in Optical Cavities.
Aklilu Y, Shepherd M, Covington CL, Varga K
Quantum-Enabled Approaches to Precision Nutrition: Linking Molecular Interactions with Metabolic Prediction
Aparna Kuna, Keshavi Killi, Tejeet Reddy Mettu
Quantum-enhanced biosensing for early detection of neurodegenerative disorders
Innocent Ojeba Musa, Miracle Uwa Livinus, Mustapha Abdulsalam, Stephen Olaide Aremu, Sunday Zeal Bala, Madinat Hassan, Shehu Sani, Job Oloruntoba Samuel, Adamu Mustapha, Abioye Olabisi Peter, Helen Auta Shnada, Jeremiah David Bala, Imam Muzeenat Oyinkansola, Katimu Yusuf, Amirah Abdulrahman
Quantum-enhanced estimation of stimulated Raman optical activity
Mahadeva Chanda Durjoy, Girish S. Agarwal
Quantum-HPC hybrid computation of biomolecular excited-state energies
Kentaro Yamamoto, Riku Masui, Takahito Nakajima, Miwako Tsuji, Mitsuhisa Sato, Peter Schow, Lukas Heidemann, Matthew Burke, Philipp Seitz, Oliver J. Backhouse, Juan W. Pedersen, John Children, Craig Holliman, Nathan Lysne, Daichi Okuno, Seyon Sivarajah, David Muñoz Ramo, Alex Chernoguzov, Ross Duncan