ab-initio

Documents about ab-initio

• Ab Initio Nuclear Structure Calculations for Light Nuclei#963997ISUDR
• Halo Nuclei from Ab Initio Nuclear Theory#398809HAL (France)
• Ab initio self-trapped excitons#611236arXiv (OAI Expanded)
• Ab initio self-trapped excitons#612713arXiv (All)
• Modelling of excited state proton transfer in in fluorescent dyes#68276HAL (France)
• Ab Initio Binocular Formulation of Listing's Law.#236270NCBI PubMed Central
• Ab-initio study of hydrogen bond networks in 1,2,3-triazole phases#463860Dbt
• Ab Initio Construction of Poincaré and AdS Particle#160792arXiv (OAI)
• GENATATORs: ab initio Gene Annotation With DNA Language Models#383453bioRxiv / medRxiv
• An ab initio analysis of the electronic, optical, and thermoelectric characteristics of the Zintl phase CsGaSb2#1318104UM Research Repository
• AB INITIO SIMULATIONS FOR MATERIAL PROPERTIES ALONG THE JUPITER ADIABAT#1283855HAL (France)
• Ab initio electronic conductivity of Fe-bearing post-perovskite#1455379arXiv (All)
• Ab-initio Simulations of Transient Response Functions / QiZhi Li#623904Deutsche Nationalbibliothek
• Scaling Neural Network Quantum States for Ab Initio Quantum Chemistry#921076arXiv (OAI Expanded)
• Scaling Neural Network Quantum States for Ab Initio Quantum Chemistry#925312arXiv (All)
• Ab initio quality neural-network potential for sodium#1128445arXiv (All)
• Ab initio calculated diamagnetic and paramagnetic susceptibility of carbonate minerals#1143052arXiv (All)
• Ab-initio superfluid weight and superconducting penetration depth#1143706arXiv (All)
• Learning ab initio phase-field models#1156704arXiv (All)
• The structure of symmetric azoazoles according to ab initio computations#1166148HAL (France)
• Ab Initio Calculations of $^6$He + $p$ Reactions#1489898arXiv (All)
• Exploratory ab-initio investigation of optical, excitonic and thermoelectric properties of hydrogenated graphene and 2D diamonds and their suitability to host NV center defect.#175717HAL (France)
• Accurate ab initio gene prediction in eukaryotes with Tiberius in multiple clades#230246bioRxiv / medRxiv
• $\boldsymbol{\textit{Ab initio}}$ $nα$ scattering using the Efros method#1247973arXiv (All)
• A Comprehensive Ab Initio Study of the Recently Synthesized Zintl Phase CsGaSb2 Structural, Dynamical Stability, Elastic and Thermodynamic Properties#1318103UM Research Repository
• Ionization-Induced Double Charge Transfer in Metallophthalocyanines Revealed by Ab Initio Simulation of 2p Photoelectron Spectra#1367112HAL (France)
• From Ab Initio Molecular Dynamics to Machine Learning Potential Energy Surface-Based Simulations : NO Oxidation on Oxygen-Functionalized Graphite#1203774HAL (France)
• Thermoelastic Properties Of The Ti2AlC MAX Phase: An Ab Initio Study#179096arXiv (OAI)
• Ab initio calculation of the reflectivity of molecular fluids under shock compression#472114ISTA Publications
• Ab initio study of magnetism in pristine and defective MnBi2Te4#617604arXiv (OAI Expanded)
• Ab initio study of magnetism in pristine and defective MnBi2Te4#618104arXiv (All)
• Ab initio evidence for surface-dominated antiproton annihilation in ${}^4 \mathrm{He}$#622860arXiv (OAI Expanded)
• Beyond Microed: Ab Initio Crystal Structures Using 4D-STEM#624249eScholarship
• Ab initio evidence for surface-dominated antiproton annihilation in ${}^4 \mathrm{He}$#625133arXiv (All)
• Ab initio short-range nuclear matrix elements for neutrinoless double-beta decay#800009arXiv (All)
• Intrinsic mechanical behavior of MgAgSb thermoelectric material: an ab initio study#955817Koc University Digital Collections
• Ab Initio Approach for Quantum Magnets with Coupled Cluster and Transcorrelation#1413929arXiv (All)
• Ab Initio Molecular Dynamics Simulations for Organic Chemists─It is About Time!#150109NCBI PubMed Central
• Oxo versus sulfido coordination at tungsten: a spectroscopic and correlated ab initio electronic structure study#284086Enlighten Publications
• Bridging Ab Initio Symmetries and Global Nuclear Masses with Interpretable Neural Networks#319657arXiv CS
• Ab-initio calculations of one-dimensional band structures of mixed-stack molecular crystals#391846HAL (France)
• Fine-tuning ab initio XANES spectra calculations using the Bayesian optimization algorithm.#671036NCBI PubMed Central
• Accurate ab initio spectroscopic studies of promising interstellar ethanolamine iminic precursors#947775Repositorio de Universidad Autónoma de Chile.
• Ab initio study of magnetic Cu$_2$Sb compounds related to antiferromagnetic CuMnAs#1061860arXiv (All)
• Accurate Charge Radius Measurement of $^{14}$C Confronts Ab Initio Theory#1069881arXiv (OAI Expanded)
• Ab Initio Emergence and Collapse of Nuclear Collectivity near N = Z = 40#1110387arXiv (OAI Expanded)
• Ab initio quality study of the graphite-diamond phase coexistence#1128446arXiv (All)
• Halo structure of $^6$He from $\textit{ab initio}$ two-nucleon spatial correlations#1389159arXiv (All)
• Ab Initio strain-dependent vibrational analysis of different silicene structures for 2D devices#1536974arXiv (All)
• A High-Throughput ab initio Database of Harmonic Phonon Properties for Inorganic Crystals#291943Infoscience