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 5413-5424 of 9,538
Spin Qubit in a 2D Gd<sup>III</sup> Na<sup>I</sup> -Based Oxamato Supramolecular Coordination Framework.
Wang J, Jing Y, Cui MH, Lu YM, Ouyang Z, Shao C, Wang Z, Song Y.
Spin-orbit coupling and Jahn-Teller effect in $T_d$ symmetry: an \textit{ab initio} study on the substitutional nickel defect in diamond
Gergő Thiering, Adam Gali
Stabilised Coupled Trajectory Mixed Quantum Classical Algorithm with Improved Energy Conservation: CTMQC-EDI
Aaron Dines, Matthew Ellis, Jochen Blumberger
Stability and Dynamics of Atom-Molecule Superfluids Near a Narrow Feshbach Resonance
Zhiqiang Wang, Ke Wang, Zhendong Zhang, Shu Nagata, Cheng Chin, K. Levin
Standoff sub-ppb level measurement of atmospheric ammonia with calibration-free wavelength modulation spectroscopy.
Wang R, Peng J, Chen J, Ti C, Wang G, Liu K, Gao X
Stochastic Schrödinger equation approach to real-time dynamics of Anderson-Holstein impurities: an open quantum system perspective
Zhen Huang, Limin Xu, Zhennan Zhou
Strong Error Bounds for Trotter & Strang-Splittings and Their Implications for Quantum Chemistry
Daniel Burgarth, Paolo Facchi, Alexander Hahn, Mattias Johnsson, Kazuya Yuasa
Strong signature of electron-vibration coupling in molecules on Ag(111) triggered by tip-gated discharging
Chao Li, Christoph Kaspar, Ping Zhou, Jung-Ching Liu, Outhmane Chahib, Thilo Glatzel, Robert Häner, Ulrich Aschauer, Silvio Decurtins, Shi-Xia Liu, Michael Thoss, Ernst Meyer, Rémy Pawlak
Structure assignment, conformational properties and discovery of potential targets of the Ugi cinnamic adduct NGI25.
Georgiou N, Gouleni N, Chontzopoulou E, Skoufas GS, Gkionis A, Tzeli D, Vassiliou S, Mavromoustakos T
Studies of Nonadiabatic Dynamics in the Singlet Fission Processes of Pentacene Dimer via Tensor Train Decomposition Method
Jiawei Peng, Deping Hu, Hong Liu, Qiang Shi, Peng Bao, Zhenggang Lan
Study of drug structures using topological descriptors and multi‐criteria decision making
Chuanhong Zhang, Ruiqing Sui, Salma Kanwal, Ferdous M. Tawfiq, Yasmeen Farooq, Adnan Aslam
Subspace methods for electronic structure simulations on quantum computers
Mario Motta, William Kirby, Ieva Liepuoniute, Kevin J. Sung, Jeffrey Cohn, Antonio Mezzacapo, Katherine Klymko, Nam Nguyen, Nobuyuki Yoshioka, Julia E. Rice