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 109-120 of 627
Efficient Implementation of the Spin-Free Renormalized Internally-Contracted Multireference Coupled Cluster Theory.
Szenes K, Kayal R, Sivalingam K, Feldmann R, Neese F, Reiher M
Efficient QM/MM Modeling of Enzymatic Reactions Combining PathCV with OPES.
Rivas-Fernández JP, Calvelo M, Sagiroglugil M, Liao Q, Rovira C
Electrical-control of third-order nonlinearity via Fano interference.
Mol DE, Üzgüc İA, Eyüpoğlu U, Atar K, Taşkıran S, Aytas TT, Ovali RV, Sahin R, Tasgin ME
Electron recollisional excitation of OCS(+) in phase-locked ω + 2ω intense laser fields.
Endo T, Otobe T, Itakura R
Elucidating the corrosion inhibition mechanism of benzimidazole-based molecules on carbon steel: An integrated experimental and DFT/DFTB/MD molecular modelling study.
Halioui C, Timoudan N, Bensalah J, El Faydy M, Rbaa M, Elouhabi N, Bouabbadi A, Safi Z, Wazzan N, Benhiba F, Zarrok H, Oudda H, Zarrouk A
Emergence of a Fluctuating Ground State in Y-Kapellasite under Pressure.
Chatterjee D, Doležal P, Abbruciati F, Biesner T, Zoch KM, Khasanov R, Islam SS, Kaur G, Roh S, Capitani F, Rodrigues JEFS, Garbarino G, Krellner C, Mendels P, Kermarrec E, Dressel M, Wehinger B, Pustogow A, Bert F, Puphal P
Emergence of the π(1300) Resonance from Lattice QCD.
Yan H, Mai M, Garofalo M, Feng Y, Döring M, Liu C, Liu L, Meißner UG, Urbach C
Employing N-phenyl-tribenzo[b,d,f]azepine as a new electron-donating group to construct high-emissive AIE molecules for NIR-II fluorescence imaging.
Song C, Zheng H, Wei J, Li B, Wang C, Lu G
Enabling nondestructive observation of electrolyte composition in batteries with ultralow-field nuclear magnetic resonance.
Fabricant AM, Picazo-Frutos R, Teleanu F, Rees GJ, Kircher R, Lin M, Evans W, Luc PM, House RA, Bruce PG, Krüger P, Blanchard JW, Eills J, Sheberstov KF, Körber R, Budker D, Barskiy DA, Jerschow A
Engineering Paramagnetic Spin Centers in Metal-Free Organic Frameworks.
Paul A, Zahid Malik M, Ghosh R
Enhancing Gaussian process regression-accelerated QM/MM free energy simulations using atomic environment descriptors.
Snyder R, Li D, Ho T, Kim B, Qazi H, Pan X, Shao Y, Pu J
Enhancing the Purcell Factor and Stability of Nitrogen-Vacancy Centers Coupled to Plasmonic Nanocavities through Dielectric Encapsulation.
Chen P, Chen Y, Sychev D, Yang MM, Pagadala K, Yang J, Lagutchev AS, Kildishev AV, Boltasseva A, Shalaev VM