Quantum Simulation
627 papers from PubMed
Quantum Simulation Research Context
This category collects papers on quantum simulation methods for chemistry, materials, many-body systems, condensed matter, and physics models.
Showing 25-36 of 627
Activation of methane by U+ studied by guided ion beam tandem mass spectrometry and quantum chemistry.
Kumar S, Armentrout PB, de Jong WA
Advancing density functional tight-binding method for large organic molecules through equivariant neural networks.
Medrano Sandonas L, Puleva M, Erarslan Z, Parra Payano R, Stöhr M, Cuniberti G, Tkatchenko A
Aharonov-Bohm Beating Induced by Coexisting Topological Surface States and 2DEG in Sb-Doped Bi(2)Se(3) Nanowires.
Kwon D, Park W, Song T, Doh YJ, Yu D, Song J, Choi SJ, Bae MH
AI-driven multiscale virtual plant cell modeling: from molecular mechanisms to tissue functions.
Liu Z, Sun X
Alkali-Metal Interlocking of 2D V(4)O(10) Sheets Defines Discretized Interlayer Shear Relationships.
Ponis J, Ashen K, Chakraborty S, Agbeworvi G, Smeaton MA, Wang C, Jessel A, Fabini DH, Juranyi F, Quintero-Castro D, Shepelin NA, Gawryluk DJ, Jungjohann KL, Hariyani S, Qian X, Banerjee S
All-inorganic lattice-contracted fabric image sensors for extreme-temperature radiography.
Xu L, Ran P, Zhou W, Wang J, Yu J, Li G, Yang YM, Si Y
An Ab Initio Calculation and Feature Attribution Analysis Study on Bipyramidal Mononuclear Dysprosium Complexes: Magnetic Anisotropy, Single-Molecule Magnet Property, and the Effect of Covalency.
Wang X, Liu H, Hu YL, Lei Y, Yin B
Analytical description of phase in high-order harmonic generation: nonadiabatic effect on single atom response and macroscopic phase matching.
Sun F, Landsman AS, Zhang Y, Pi LW, Fu Y
Anatomy of the substituent effect in complex N-heterocycles.
Wieczorkiewicz PA, Krygowski TM, Szatylowicz H
Anharmonicity-driven low lattice thermal conductivity and high thermoelectric response in monolayer CeX(2) (X = O, S, Se, Te).
Pan Z, Hao D, Xiong W, Li G, Yang J, Zeng S
Antibacterial flavonoid derivatives: in silico ADMET, DFT, Molecular Docking, MD Simulation and in vitro verification.
Ishfaq A, Tajammal A, Maira R, Qureshi AW, Aleeza B, Basra MAR
Antimatter in astronomy and cosmology: the early history.
Kragh H