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 6589-6600 of 9,538
Prediction of low-Z collinear and noncollinear antiferromagnetic compounds having momentum-dependent spin splitting even without spin-orbit coupling
Lin-Ding Yuan, Zhi Wang, Jun-Wei Luo, Alex Zunger
Preparation of excited states for nuclear dynamics on a quantum computer
Alessandro Roggero, Chenyi Gu, Alessandro Baroni, Thomas Papenbrock
Pressure effect on the topologically nontrivial electronic state and transport of lutecium monobismuthide
H. Gu, F. Tang, Y.-R. Ruan, J.-M. Zhang, R.-J. Tang, W. Zhao, R. Zhao, L. Zhang, Z.-D. Han, B. Qian, X.-F. Jiang, Y. Fang
Probing non-Hermitian phase transitions in curved space via quench dynamics
Ygor Pará, Giandomenico Palumbo, Tommaso Macrì
Properties of Rényi complexity ratio of quantum states for central potential
Debraj Nath
Pulsed Electron Spin Resonance of an Organic Microcrystal by Dispersive Readout
Ailsa Keyser, Jonathan Burnett, Sergey Kubatkin, Andrey Danilov, Mark Oxborrow, Sebastian de Graaf, Tobias Lindström
Pykat: Python package for modelling precision optical interferometers
Daniel D. Brown, Philip Jones, Samuel Rowlinson, Sean Leavey, Anna C. Green, Daniel Töyrä, Andreas Freise
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