Quantum Simulation
774 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 774
A simplified feline phantom and Monte-Carlo simulation can be used to evaluate radiation exposure to veterinary staff during [(211)At]NaAt treatment.
Sakashita T, Onuma K, Sugasawa A, Sasaki I, Sasaki F, Daisaki H, Ishioka NS, Ito N, Kakizaki T
A simplified theoretical model to describe the melting of metal and semimetal nanocrystals.
Jiang X, Gao R
A Vibronic Coupling Model to Study the Nonadiabatic Dynamics of Polyenes.
Georges TN, Summerley L, Runeson JE, Barford W
Ab initio mixed polarizabilities responsible for the Raman-forbidden ν2 transition in carbon dioxide molecule.
Finenko AA, Chistikov DN, Kouzov AP
Ab initio potential energy surface of NC(4)N-He: rotationally inelastic collisions and rate coefficients.
Kaur G, Chahal P, Dhilip Kumar TJ
Accelerated "On-the-Fly" Coupled-Cluster Path-Integral Molecular Dynamics: Impact of Nuclear Quantum Effects on An Asymmetric Proton.
Spura T, Elgabarty H, Kühne TD
Accelerated SPAD-Based Diffuse Optical Tomography With Data-Driven View Optimization.
Li L, Kuang K, Lin Y, Zhang J, Chen B, Jiang J, Jiang J, Bruschini C, Charbon E, Ren W
Accelerating geometry optimization via Grassmann-DIIS extrapolation.
Song Z, Lao KU
Accurate Core-Level Ionization Energies from an Affordable Second-Order Approach.
Mester D, Kállay M
Accurate helium-benzene potential: From CCSD(T) to Gaussian process regression.
Akram S, Paul S, Kovacs C, Maroulas V, Del Maestro A, Vogiatzis KD
Accurate Hydration Free Energy Calculations for Diverse Organic Molecules With a Machine Learning Force Field.
Xie X, Weber JL, Svensson M, Johnston RC, Harder ED, Jacobson LD
Activation of methane by U+ studied by guided ion beam tandem mass spectrometry and quantum chemistry.
Kumar S, Armentrout PB, de Jong WA