Quantum Chemistry
9,538 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 4741-4752 of 9,538
Quantum theory of a potential biological magnetic field sensor: radical pair mechanism in flavin adenine dinucleotide biradicals
Amirhosein Sotoodehfar, Rishabh, Hadi Zadeh-Haghighi, Christoph Simon
Quantum Triticality of Bosonic Atomic-Molecular Mixtures with Feshbach Coupling
Yuan-Hong Chen, Dong-Chen Zheng, Renyuan Liao
Quantum-accurate machine learning potentials for metal-organic frameworks using temperature driven active learning
Abhishek Sharma, Stefano Sanvito
Quantum-assisted Stacking Sequence Retrieval and Laminated Composite Design
Arne Wulff, Swapan Madabhushi Venkata, Boyang Chen, Sebastian Feld, Matthias Möller, Yinglu Tang
Quantum-centric computation of molecular excited states with extended sample-based quantum diagonalization
Stefano Barison, Javier Robledo Moreno, Mario Motta
Quantum-Centric Study of Methylene Singlet and Triplet States
Ieva Liepuoniute, Kirstin D. Doney, Javier Robledo-Moreno, Joshua A. Job, Will S. Friend, Gavin O. Jones
Quantum-chemical modeling of dispersed systems with the yttrium aluminum garnet base
C. D. Plekhovich, A. D. Plekhovich, A. M. Kutiin, E. E. Rostokina, A. V. Budruev, T. Yu. Biryukova
Quantum-mechanic analysis of the gp120 glycoprotein of the outer envelope of wild-type HIV-1 necessary to understand infection in AIDS, useful for the development of new pharmacological and therapeutic strategies
Juan Carlos Santiago-Jiménez, Gabriel Ramírez-Damaso, Fray De Landa Castillo-Alvarado
Quasi-classical Trajectory Calculations on a Two-state Potential Energy Surface Including Nonadiabatic Coupling Terms as Friction for D+ + H2 Collisions
Soumya Mukherjee, Swagato Saha, Sandip Ghosh, Satrajit Adhikari, Narayanasami Sathyamurthy, Michael Baer
Radiative pumping vs vibrational relaxation of molecular polaritons: a bosonic mapping approach
Juan B. Pérez-Sánchez, Joel Yuen-Zhou
Real-Time Coupled Cluster Theory with Approximate Triples
Zhe Wang, Håkon Emil Kristiansen, Thomas Bondo Pedersen, T. Daniel Crawford
Real-time propagation of adaptive sampling selected configuration interaction wave function
Avijit Shee, Zhen Huang, Martin Head-Gordon, K. Birgitta Whaley