Quantum Simulation

13,277 papers

Quantum Simulation Research Context

This category collects papers on quantum simulation methods for chemistry, materials, many-body systems, condensed matter, and physics models.

Showing 3385-3396 of 13,277

Theoretical insight into the unique structural stabilization mechanism in actinide-centered boride.

Hu SX, Qiu P, Liu H

2026 PubMed Physical chemistry chemical physics : PCCP

Theoretical insights into ion transport mechanisms in fluoroacetonitrile-based electrolytes for Li/Na/K ion batteries: a molecular dynamics and quantum chemical study.

Liu H, Huang Y, Li S, Yang J, Ma P, Zhang X, Liu A, Lu C, Wang P, Yang B, Yan X

2026 PubMed Nanoscale

Theoretical insights into the structural, electronic, photocatalytic and supercapacitor applications of pentahexoctite.

Barman N, Sarkar U

2026 PubMed Physical chemistry chemical physics : PCCP

Theoretical Insights on the Regulatory Mechanisms of Structure and Doping on the Photoluminescence of Ligand Protected Gold Nanoclusters.

Li K, Li J, Wang P, Pei Y

2026 PubMed Accounts of chemical research

Theoretical study for investigating three experimental dose-response curves of rosy odorants on human olfactory receptor OR2A25 via molecular docking calculations and statistical physics modeling.

Ben Khemis I, Aouaini F, Knani S, Dhaou MH, Ben Lamine A

2026 PubMed Journal of computer-aided molecular design

Theoretical Study on the Quantum Dynamics of Highly Energetic (14)N + (15)N(15)N Isotope Exchange Reactions.

Tak A, Koner D, Kumar S, Guillon G, Honvault P, Rao TR

2026 PubMed The journal of physical chemistry. A

Theory and practice of Trotter product formulas for quantum chemistry

Pablo A. M. Casares, William Maxwell, Danial Motlagh, Hitarth Choubisa, Zy Niu, Ignacio Loaiza, Jonathan E. Mueller, Arne-Christian Voigt, Juan Miguel Arrazola, Stepan Fomichev

2026 arXiv arXiv preprint

Theory and Simulations of Fluorescence-Detected Two-Dimensional Electronic Spectroscopy: From Rigorous Quantum Mechanics to Simple Kinetic Models.

Rueda Espinosa KJ, Herrera Rodríguez LE, Kananenka AA

2026 PubMed Journal of chemical theory and computation

Thermal Decomposition Simulations of Hydroxylamine Pentazolate With Deep Neural Network Potential.

Sheng G, Wang C, Zhang J, Guo W, Liu R

2026 PubMed Journal of computational chemistry

Thermal-Drift Sampling: Generating Random Thermal Ensembles for Quantum Chaos Diagnostics

Jiyu Jiang, Mingrui Jing, Jizhe Lai, Xin Wang, Lei Zhang

2026 arXiv arXiv preprint

Thermalization of SU(2) Lattice Gauge Fields on Quantum Computers

Jiunn-Wei Chen, Yu-Ting Chen, Ghanashyam Meher, Berndt Müller, Andreas Schäfer, Xiaojun Yao

2026 arXiv arXiv preprint

Thermalization with Gaussian Quantum Cellular Automata

Roman Geiko, Jake Gerenraich

2026 arXiv arXiv preprint