Quantum Chemistry
366 papers for year 2022
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 37-48 of 366
All Visible Light Photoswitch Based on the Dimethyldihydropyrene Unit Operating in Aqueous Solutions with High Quantum Yields
Zakaria Ziani, Saioa Cobo, Frédérique Loiseau, Damien Jouvenot, Elise Lognon, Martial Boggio-Pasqua, Guy Royal
Ammonia dimer: extremely fluxional but still hydrogen bonded
Aling Jing, Krzysztof Szalewicz, Ad van der Avoird
Amphiphilic Graphene Quantum Dots: Metal‐Free Photocatalyst for Hydrogen Evolution via Encapsulation of Organic Thermally Activated Delayed Fluorescence Photosensitizers
Hyunho Park, Illia E. Serdiuk, Soo Young Park
An Interface for Variational Quantum Eigensolver based Energy (VQE-E) and Force (VQE-F) Calculator to Atomic Simulation Environment (ASE)
Nirmal M R, Shampa Sarkar, Manoj Nambiar
Analytical formulation of the second-order derivative of energy for orbital-optimized variational quantum eigensolver: application to polarizability
Yuya O. Nakagawa, Jiabao Chen, Shotaro Sudo, Yu-ya Ohnishi, Wataru Mizukami
Application of a combined safety approach for the evaluation of safety margin during a Loss of Condenser Vacuum event
Dong-Hun Shin, Hae-Yong Jeong, Moon-Ghu Park, Jung-Uk Sohn
Application of deep learning and molecular modeling to identify small drug-like compounds as potential HIV-1 entry inhibitors.
Andrianov AM, Nikolaev GI, Shuldov NA, Bosko IP, Anischenko AI, Tuzikov AV
Application of Quantum Teaching Method to Science Learning Outcomes for Class VI in Elementary Schools
Yuyun Lestari
Applications of the Spectral Theory of Chemical Bonding to Simple Hydrocarbons
Jeffrey D. Mills
Artificially regulated synthesis of nanocrystals in live cells.
Liu AA, Sun EZ, Wang ZG, Liu SL, Pang DW
Assessment of various Hamiltonian partitionings for the electronic structure problem on a quantum computer using the Trotter approximation
Luis A. Martínez-Martínez, Tzu-Ching Yen, Artur F. Izmaylov
Benchmarking Variational Quantum Eigensolvers for Quantum Chemistry
Jiaqi Hu, Junning Li, Yanling Lin, Hanlin Long, Xu-Sheng Xu, Zhaofeng Su, Wengang Zhang, Yikang Zhu, Man-Hong Yung