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https://www.initiolearning.org/ Initio Learning Trust - Home initio learning trust https://www.wimborneacademytrust.org/ Initio Learning Trust - Home initio learning trust https://www.aanda.org/articles/aa/full_html/2026/06/aa60576-26/aa60576-26.html The fate of Earth during the Sun’s giant phases - New constraints from ab initio tidal modelling... https://www.vasp.at/ VASP - Vienna Ab initio Simulation Package ab initio vasp vienna simulation package https://careers.singaporeair.com/sia/job/Ab-Initio-Cadet-Pilot/19586544/ Ab Initio Cadet Pilot (Singapore) Job Details | Singapore Airlines Ltd Ab Initio Cadet Pilot (Singapore) ab initio cadet pilot singapore job details airlines https://initioparfums.com/ Initio Parfums Privés | Site officiel – INITIO Parfums Privés INITIO transgresse les règles de la parfumerie classique en renouant avec la puissance originelle des parfums. 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An ab initio study... https://ucrisportal.univie.ac.at/en/publications/ab-initio-study-of-abio3-a-ba-sr-ca-under-high-pressure/ Ab initio study of ABiO(3) (A = Ba, Sr, Ca) under high pressure - University of Vienna https://research.ibm.com/publications/ab-initio-molecular-dynamics-study-of-diffusion-and-defects-in-solidn Ab initio molecular-dynamics study of diffusion and defects in solidN for Physical Review B - CMMP... Ab initio molecular-dynamics study of diffusion and defects in solidN for Physical Review B - CMMP by J. Sarnthein et al. https://research.ibm.com/publications/chain-conformations-of-polycarbonate-from-ab-initio-calculations Chain Conformations of Polycarbonate from ab Initio Calculations for Macromolecules - IBM Research Chain Conformations of Polycarbonate from ab Initio Calculations for Macromolecules by Bernard C. Laskowski et al. ab initio https://pubs.rsc.org/en/Content/ArticleLanding/2013/CP/c3cp51440d Reaction selectivity in an ionized water dimer: nonadiabatic ab initio dynamics simulations -... We study dynamical processes following water dimer ionization. The nonadiabatic dynamical simulations of the water dimer radical cation are performed using a... ionized water https://www2.mpi-halle.mpg.de/theory_department/research/ab_initio_theory_of_superconductivity/ Ab-initio theory of superconductivity ab initio theory superconductivity https://kth.diva-portal.org/smash/record.jsf?pid=diva2:1594833 Ab initio modelling of intergranular fracture of nickel containing phosphorus : Interfacial excess... ab initio modelling https://www.research.ed.ac.uk/en/projects/ab-initio-prediction-of-new-energetic-materials-with-low-impact-s-3/publications/ Ab initio prediction of new energetic materials with low impact sensitivities - Research output -... https://collaborate.princeton.edu/en/publications/erratum-ab-initio-reaction-kinetics-of-hydrogen-abstraction-from-/ Erratum: Ab Initio Reaction Kinetics of Hydrogen Abstraction from Methyl Formate by Hydrogen,... ab initio reaction kinetics https://impact.ornl.gov/en/publications/ab-initio-theoretical-studies-of-potential-energy-surfaces-in-the/ Ab initio theoretical studies of potential energy surfaces in the photodissociation of the vinyl... ab initio potential energy https://meetings-archive.aps.org/mar/2012/j23/11/ Ab Initio Study of Phase-Change Materials Doped with magnetic Impurities - Instrumentation of... Chalcogenide Phase-change materials are of great technological importance due to their ability to undergo reversible and fast transitions between the amorphous phase change materials ab initio https://nrc-publications.canada.ca/eng/view/object/?id=35373b0f-e6e6-44b0-9c7e-02be3425f14e Ab initio structure determination of the low-temperature phase of succinonitrile from laboratory... Ab initio structure determination of the low-temperature phase of succinonitrile from laboratory X-ray powder diffraction data - coping with potential poor... ab initio of the https://is.mpg.de/publications/escidoc-0924 Nonlinear magnetoelastic effects in ultrathin epitaxial FCC Co(001) films: an ab initio study |... Our goal is to understand the principles of Perception, Action and Learning in autonomous systems that successfully interact with complex environments and to... https://meetings-archive.aps.org/dnp/2006/gg/ Ultrarelativistic Heavy Ions II - Scattering and reactions in ab initio nuclear theory Archive of meeting recordings and transcripts https://meetings-archive.aps.org/gec/2022/gr2/3/ Ab initio Electron-scattering data for perfluorocyclobutane (c-C$_4$F$_8$) - Microplasma... Perfluorocyclobutane or c-C$_4$F$_8$ is a widely used processing gas in the plasma etching of silicon dioxide. Therefore, a comprehensive and accurate analysis ab initio https://data.mendeley.com/datasets/f34znvsww3/1 Data for: Isotopic disequilibrium of Cu in marine ferromanganese crusts: Evidence from ab initio... Atomic coordinates and vibrational frequencies from ab initio simulaitons of Cu complexes associated with birnessite. https://impact.ornl.gov/en/publications/ab-initio-simulation-of-medium-range-ordering-in-ionic-glass-elec/ Ab Initio Simulation of Medium-Range Ordering in Ionic Glass Electrolytes LiSiPON and LiNaSiPON -... https://publications-cnrc.canada.ca/eng/view/object/?id=a358d9a4-13e2-4e9b-a5c7-0094b327a143 Ab initio study of elastic properties of Ir and Ir3X compounds - NRC Publications Archive -... Ab initio study of elastic properties of Ir and Ir3X compounds https://meetings.aps.org/Meeting/MAR20/Session/U44.9 Ab Initio ab initio https://discovery.fiu.edu/display/pub109829 Excited electronic states of the methyl radical. Ab initio molecular orbital study of geometries,... https://researchconnect.buffalo.edu/en/publications/chapter-6-radiation-induced-dna-damage-and-repair-an-approach-fro/ Chapter 6 Radiation-induced DNA damage and repair: An approach from AB initio mo method - SUNY... https://cordis.europa.eu/project/id/500155/reporting Heterogeneous charge-transfer studied by ab initio quantum chemical methods: Application to... Latest report summary studied by ab initio https://meetings-archive.aps.org/mar/2023/a59/12/ Ab-initio simulation of many-body effects in high-harmonic generation in monolayer WSsub2/sub -... In materials where the nonlinear susceptibility is substantial, n photons with the same frequency can be combined to generate a new photon with n times the init https://kth.diva-portal.org/smash/record.jsf?faces-redirect=true&language=no&searchType=SIMPLE&query=&af=%5B%5D&aq=%5B%5B%5D%5D&aq2=%5B%5B%5D%5D&aqe=%5B%5D&pid=diva2%3A1717760&noOfRows=50&sortOrder=author_sort_asc&sortOrder2=title_sort_asc&onlyFullText=false&sf=all Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations https://ar5iv.labs.arxiv.org/html/1504.00500 [1504.00500] Combined shared and distributed memory ab-initio computations of molecular-hydrogen... An efficient computational scheme devised for investigations of ground state properties of the electronically correlated systems is presented. As an example,... https://research.ibm.com/publications/ab-initio-studies-of-he-ni-and-he-cu-interaction-potentials Ab initio studies of He-Ni and He-Cu interaction potentials for JVSTA - IBM Research Ab initio studies of He-Ni and He-Cu interaction potentials for JVSTA by H.O. Beckmann et al. https://data.mendeley.com/datasets/t45c7kc6gt/1 SKiES: The program for ab initio calculations of transport properties based on Allen's method for... Accurate modeling of transport properties, such as electrical resistivity and electronic contribution to thermal conductivity, is essential for understanding... https://research.ugent.be/web/result/project/2a55573c-4747-496a-b053-35d45ebaaba6/team/nl Research Explorer - Projectteam van (3E007907) Statische en dynamische ab initio-modellering van... Research Explorer - Leden van het onderzoeksteam voor onderzoeksproject Statische en dynamische ab initio-modellering van elementaire reacties die leiden tot... research explorer ab initio projectteam van https://meetings.aps.org/Meeting/MAR11/Session/X32.8 APS -APS March Meeting 2011 - Event - Ab Initio Insights on the Shapes of Nanocrystals aps march meeting https://publikationen.bibliothek.kit.edu/105994 Ab initio study of structures and energetics of small copper-s... ab initio small copper study structures energetics https://seven.uva.nl/onderzoek/sevens-portfolio/ab-initio-biowate-loop-abel.html Ab-Initio Biowate Loop (ABEL) (2026-2030) - SEVEN - Universiteit van Amsterdam Mar 26, 2026 - Hoe kan laagwaardig afval worden omgezet in waardevolle, duurzame materialen, van laboratorium tot toepassing? ab initio loop abel https://meetings-archive.aps.org/mar/2017/f8/10/ Ab initio Electron Mobility and Polar Phonon Scattering in GaAs - undefined ab initio electron mobility https://repository.gatech.edu/entities/publication/1d907835-e259-48c6-ac3e-14d9208aa994 Ab initio computational studies ab initio computational studies https://openresearch-repository.anu.edu.au/items/4965c441-8b21-4ff1-807e-d1a04da94d60/full Ab Initio Calculations on Hidden Modulators of Theta Class Glutathione Transferase Activity ab initio https://meetings-archive.aps.org/mar/2023/b55/2/ Bridging the experimental observables in the pump-probe experiment with the ab-initio methods -... The interaction of coherent pulsed lasers with magnetically ordered materials induces various elementary excitations and drives the material out of equilibrium https://impact.ornl.gov/en/publications/ab-initio-simulation-of-hydrogen-bonding-in-ices-under-ultra-high/ Ab initio simulation of hydrogen bonding in ices under ultra-high pressure - Oak Ridge National... https://www.scirp.org/journal/paperinformation?paperid=33322 Ab Initio Study of the Electronic and Vibrational Properties of 1-nm-Diameter Single-Walled... The electronic structure, band gap, density of states of the (8,8), (14,0) and (12,3) single-walled carbon nanotubes by the SIESTA (Spanish Initiative for... https://iris.cnr.it/handle/20.500.14243/355979 Ab initio calculation of electron energy loss spectra of clean and 1ML Fe-covered Ni(111) https://impact.ornl.gov/en/publications/many-body-ab-initio-diffusion-quantum-monte-carlo-applied-to-the-/ Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO -... https://kth.diva-portal.org/smash/record.jsf?faces-redirect=true&language=sv&searchType=SIMPLE&query=&af=%5B%5D&aq=%5B%5B%5D%5D&aq2=%5B%5B%5D%5D&aqe=%5B%5D&pid=diva2%3A1717760&noOfRows=50&sortOrder=author_sort_asc&sortOrder2=title_sort_asc&onlyFullText=false&sf=all Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations https://blends.debian.org/debichem/tasks/periodic-abinitio.vi.html DebiChem Periodic ab initio calculations packages Description of software in the Debian Linux distribution under maintenance of the DebiChem team. Displayed are packages of the Periodic Ab Initio Calculations... ab initio periodic calculations packages https://ojs.library.okstate.edu/osu/index.php/CARI/article/view/10462/9300 View of A Comparison of the Success of Ab-Initio and Transfer Private Pilots at Southern Illinois... https://chriswoodgate.github.io/talks/2025-08-27-psik Crystallographic orderings in high-entropy alloys induced by the addition of Al: Ab initio theory... https://kth.diva-portal.org/smash/record.jsf?pid=diva2:1982402 Electron-vibrational renormalization in fullerenes through ab initio and machine learning methods https://www.kth.se/en/om/upptack/kalender/ab-initio-and-phenomenological-modeling-of-materials-related-to-cvd-hard-coatings-1.1120897?date=2021-12-10&orgdate=2021-06-27&length=1&orglength=188 Ab initio and phenomenological modeling of materials related to CVD hard coatings | KTH https://bookshelf.mml.ox.ac.uk/tag/german-ab-initio/ German ab initio | Adventures on the Bookshelf ab initio on the german adventures bookshelf https://kth.diva-portal.org/smash/record.jsf?pid=diva2%3A1717760 Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations https://impact.ornl.gov/en/publications/ab-initio-computation-of-neutron-rich-oxygen-isotopes/ Ab initio computation of neutron-rich oxygen isotopes - Oak Ridge National Laboratory ab initio https://cbb.cornell.edu/research/ab-initio-study-antisite-defects-nb3sn-phase-diagram-and-impact-superconductivity Ab Initio Study of Antisite Defects in Nb3Sn: Phase Diagram and Impact on Superconductivity | The... https://publikationen.bibliothek.kit.edu/220068800 Ab initio study of hydrogen storage in MOFs ab initio hydrogen storage study mofs https://scholars.uky.edu/es/publications/ab-initio-studies-on-the-structures-vertical-electron-detachment--2/ Ab initio studies on the structures, vertical electron detachment energies, and fragmentation... ab initio on the https://meetings.aps.org/Meeting/MAR10/Session/T20.7 APS -APS March Meeting 2010 - Event - Ab-Initio Physics of Electrochemistry aps march meeting ab initio event physics electrochemistry https://meetings.aps.org/Meeting/MAR22/Session/G46.7 APS -APS March Meeting 2022 - Event - Extending the ab initio Bethe-Salpeter equation approach to... aps march meeting https://infoscience.epfl.ch/entities/publication/06395e08-5484-4c4a-b92f-74584ad8658e Ab initio determination of the dielectric response of GaAs, AlAs, C, and SrO in the... We investigate the accuracy of the weighted-density approximation (WDA) in predicting the dielectric response of materials from first-principles. WDA is a... https://www.mdm.imm.cnr.it/node/24457 Ab initio study of the magnetic interaction of Co and Ni doped ZnO with intrinsic vacancies |... https://research.monash.edu/en/publications/significance-of-hybrid-evolutionary-computation-for-ab-initio-pro/ Significance of hybrid evolutionary computation for Ab initio protein folding prediction - Monash... evolutionary computation https://discovery.fiu.edu/display/pub109828 Ab initio MO calculations for the reactions of NHsub2/sub with Hsub2/sub, Hsub2/subO,... https://discovery.fiu.edu/display/pub125166 A combined crossed beam and iab initio/i investigation on the reaction of carbon species with... https://www.nist.gov/publications/comparison-independently-calculated-ab-initio-normal-mode-displacements-three-c-h Comparison of independently calculated ab-initio normal-mode displacements for the three C-H... Oct 12, 2021 - Comparison of graphical displays of normal-mode coefficients from recent quantum chemical projected-frequency calculations with analogous displays constructed a https://collaborate.princeton.edu/en/publications/letter-to-the-editor-ab-initio-molecular-dynamics-simulation-of-l/fingerprints/ Letter to the Editor: Ab Initio Molecular Dynamics Simulation of Liquid Nasn Alloy - Fingerprint -... letter to the editor https://research.ibm.com/publications/force-constants-for-the-symmetric-stretch-motions-of-acetylene-accurate-ab-initio-calculations Force constants for the symmetric stretch motions of acetylene: Accurate ab initio calculations for... Force constants for the symmetric stretch motions of acetylene: Accurate ab initio calculations for The Journal of Chemical Physics by P.S. Bagus et al. https://meetings.aps.org/Meeting/MAR13/Session/U23.10 APS -APS March Meeting 2013 - Event - Ab Initio Study of Quasiparticle and Excitonic Properties of... aps march meeting https://collaborate.princeton.edu/en/publications/practical-phase-space-electronic-hamiltonians-for-ab-initio-dynam/ Practical phase-space electronic Hamiltonians for ab initio dynamics - Princeton University phase space ab initio practical electronic https://www.eurohpc-ju.europa.eu/supercomputers/awarded-projects/ab-initio-modelling-metal-oxide-nanomaterials-aqueous-environment-impact-surface-curvature-and_en?prefLang=sl Ab-initio Modelling of Metal Oxide Nanomaterials in Aqueous Environment: Impact of surface... Investigation of processes at nanosurfaces is highly challenging since atoms in the bulk typically dominate the signal measured in experiments, and here... ab initio metal oxide https://collaborate.princeton.edu/en/publications/structure-and-properties-of-polymers-calculated-by-ab-initio-mole-2/ Structure and properties of polymers calculated by Ab initio molecular dynamics - Princeton... properties of polymers https://impact.ornl.gov/en/publications/ab-initio-study-of-defect-properties-in-ypo-sub4sub/ Ab initio study of defect properties in YPO 4 - Oak Ridge National Laboratory https://researchconnect.buffalo.edu/en/publications/anion-and-cation-effects-on-olefin-adsorption-on-silver-and-coppe/ Anion and cation effects on olefin adsorption on silver and copper halides: Ab initio effective... https://collaborate.princeton.edu/en/publications/ab-initio-molecular-dynamics-for-d-electron-systems-liquid-copper/ Ab initio molecular dynamics for d-electron systems: Liquid copper at 1500 K - Princeton University https://collaborate.princeton.edu/en/publications/ab-initio-bond-strengths-in-ethylene-and-acetylene/ Ab Initio Bond Strengths in Ethylene and Acetylene - Princeton University ab initio bond strengths ethylene acetylene https://wbc.poznan.pl/dlibra/publication/523769/edition/461885/content?&ref=struct "Acta Provinciae S. Hyacinthi In Russia Sacri Ordinis FF Praedicatorum Sub Initio Regiminis Eximii... 325 k. , Rkps zawiera druki , 30x31,5 cm https://meetings.aps.org/Meeting/APR19/Session/X03.1 APS -APS April Meeting 2019 - Event - Ab-initio calculations of neutrino-nucleus interactions april meeting ab initio https://portal.fis.tum.de/en/publications/cysteine-on-gold-an-ab-initio-investigation-2/ Cysteine on gold: An ab-initio investigation - Technical University of Munich on gold ab initio technical university cysteine https://meetings.aps.org/Meeting/MAR15/Session/T2.3 APS -APS March Meeting 2015 - Event - Ab-initio study of the temperature effects on the optical... aps march meeting https://se.copernicus.org/articles/11/767/2020/ SE - Yttrium speciation in subduction-zone fluids from ab initio molecular dynamics simulations Abstract. The rare Earth elements (REEs) are important geochemical tracers for geological processes such as high-grade metamorphism. Aqueous fluids are... https://file.scirp.org/Html/33322.html iAb Initio/i Study of the Electronic and Vibrational Properties of 1-nm-Diameter Single-Walled... The electronic structure, band gap, density of states of the (8,8), (14,0) and (12,3) single-walled carbon nanotubes by the SIESTA (Spanish Initiative for... https://meetings.aps.org/Meeting/APR19/Session/Y05.2 APS -APS April Meeting 2019 - Event - Ab initio calculations of few-body reactions april meeting ab initio https://ojs.library.okstate.edu/osu/index.php/CARI/article/view/10462 A Comparison of the Success of Ab-Initio and Transfer Private Pilots at Southern Illinois... https://experts.umn.edu/en/publications/functional-representation-of-liu-and-siegbahns-accurate-ab-initio/ Functional representation of Liu and Siegbahn's accurate ab initio potential energy calculations... https://www.mis.mpg.de/de/events/event/ab-initio-molecular-dynamics-algorithms-and-applications Ab-initio Molecular Dynamics Algorithms and Applications in Colloquium of the Max Planck Institute:... https://arxiv.org/html/2212.08468v2 Compositional phase stability in medium-entropy and high-entropy Cantor-Wu alloys from an ab initio... https://www.ideals.illinois.edu/items/97687 An ab initio approach to analyze fermi resonance in ammonia clusters | IDEALS ab initio https://research-portal.st-andrews.ac.uk/en/publications/the-nature-of-valence-band-holes-in-pure-and-fe-doped-nio-an-ab-i/ The nature of valence band holes in pure and Fe-doped NiO: an ab initio Hartree-Fock study -... https://cordis.europa.eu/project/id/293900/reporting/pl Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for... Latest report summary molecular dynamics simulation ab initio https://iris.cnr.it/handle/20.500.14243/349785 Ab initio modelling of oxygen vacancy arrangement in highly defective HfO2 resistive layers https://collaborate.princeton.edu/en/publications/ab-initio-reaction-energetics-of-phosgene-decomposition-by-znsup2/ Ab initio reaction energetics of phosgene decomposition by Zn2+ and Ni atoms: Implications for... https://discovery.fiu.edu/display/pub109599 Ab initio Calculations of Transition Dipole Moments of (O-2)(2) Complex ab initio calculations transition dipole moments https://meetings-archive.aps.org/mar/2012/b44/7/ Graphene Nano-Electrodes for DNA Sequencing: an Ab initio Perspective - Instrumentation of... The proposal was made that a graphene nanogap could be used to probe the transverse conductance of individual nucleotides in DNA to rapidly identify the associa dna sequencing https://research.ibm.com/publications/ab-initio-calculations-for-the-electronic-structure-of-carbazole-and-trinitrofluorenone Ab initio Calculations for the electronic structure of carbazole and trinitrofluorenone for... Ab initio Calculations for the electronic structure of carbazole and trinitrofluorenone for Theoretica Chimica Acta by I.P. Batra et al. ab initio for the electronic structure calculations https://www.mis.mpg.de/events/event/ab-initio-molecular-dynamics-algorithms-and-applications Ab-initio Molecular Dynamics Algorithms and Applications in Colloquium of the Max Planck Institute:... https://iris.cnr.it/handle/20.500.14243/301778 Advances in methods for macromolecular structure solution: ab initio and MR approaches macromolecular structure https://research.ibm.com/publications/alkali-adsorption-on-si111-surfaces-ab-initio-molecular-dynamics-studies Alkali adsorption on Si(111) surfaces: ab initio molecular dynamics studies for Surface Science -... Alkali adsorption on Si(111) surfaces: ab initio molecular dynamics studies for Surface Science by Isabelle Moullet et al.