Quantum Simulation
800 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 800
A scalable and quantum-accurate foundation model for biomolecular force fields via linearly tensorized quadrangle attention.
Su Q, Zhu K, Gou Q, Zhang J, Hu R, Li Y, Wang Y, Zhang H, You Z, Jiang L, Kang Y, Wang J, Hsieh CY, Hou T
A Self-Consistent Phase Field Crystal Method for Twisted Bilayer Graphene.
Wang P, Liu K
A simple approach to attosecond electronic chirality flips using triatomic molecules.
Haase D, Manz J, Paulus B, Scherlitzki J, Tremblay JC
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