Quantum Chemistry
434 papers for year 2020
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 289-300 of 434
Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics
Katharina Boguslawski, Aleksandra Leszczyk, Artur Nowak, Filip Brzęk, Piotr Szymon Żuchowski, Dariusz Kędziera, Paweł Tecmer
Quadratic Clifford expansion for efficient benchmarking and initialization of variational quantum algorithms
Kosuke Mitarai, Yasunari Suzuki, Wataru Mizukami, Yuya O. Nakagawa, Keisuke Fujii
Quantum algorithm for a chemical reaction path optimization by using a variational quantum algorithm and a reaction path generation
Shu Kanno
Quantum Algorithm for a Convergent Series of Approximations towards the Exact Solution of the Lowest Eigenstates of a Hamiltonian
Zhiyong Zhang
Quantum algorithm for alchemical optimization in material design
Panagiotis Kl. Barkoutsos, Fotios Gkritsis, Pauline J. Ollitrault, Igor O. Sokolov, Stefan Woerner, Ivano Tavernelli
Quantum Algorithm for Simulating Single-Molecule Electron Transport
Soran Jahangiri, Juan Miguel Arrazola, Alain Delgado
Quantum and semiclassical dynamics as fluid theories where gauge matters
Dmitry V. Zhdanov, Denys I. Bondar
Quantum chemical exercise linking computational chemistry to general chemistry topics
Simpson Scott, Evanoski-Cole Ashley, Gast Kellie, Wedvik Madeleine C., Schneider Patrick W., Klingensmith Isaac
Quantum chemical modeling of orthophosphoric acid adsorption sites on hydrated anatase surface
Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine, О. V. Filonenko, E. M. Demianenko, Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine, V. V. Lobanov, Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine
Quantum circuit architecture search for variational quantum algorithms
Yuxuan Du, Tao Huang, Shan You, Min-Hsiu Hsieh, Dacheng Tao
Quantum Computation of Fluid Dynamics
SACHIN S. BHARADWAJ, KATEPALLI R. SREENIVASAN
Quantum computing enhanced computational catalysis
Vera von Burg, Guang Hao Low, Thomas Häner, Damian S. Steiger, Markus Reiher, Martin Roetteler, Matthias Troyer