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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
https://mdr.nims.go.jp/datasets/9e43a6d6-0f54-47d0-9e10-d191f186cf9b?locale=en
Ab-initio phonon calculation for InTeClO3 / P2_1/c (14) / materials id 557992 - MDR: NIMS Materials...
Ab-initio phonon calculation for InTeClO3 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are...
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
https://publications-cnrc.canada.ca/eng/view/object/?id=78595d32-76fe-4399-b108-d3ecb98ca5c0
Computational methods for Ab initio molecular dynamics - NRC Publications Archive - Canada.ca
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
https://mdr.nims.go.jp/datasets/b4fd833c-5e3a-4af3-ab64-0e35930e8963?locale=en
Ab-initio phonon calculation for NaHSO4 / P2_1/c (14) / materials id 634378 - MDR: NIMS Materials...
Ab-initio phonon calculation for NaHSO4 / P2_1/c (14) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are...
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
https://www.aanda.org/articles/aa/full_html/2019/01/aa33963-18/aa33963-18.html
Ab initio based equation of state of dense water for planetary and exoplanetary modeling |...
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
https://mdr.nims.go.jp/datasets/912848a9-1dc2-4853-b350-d12ca1d3e7f7
Ab-initio phonon calculation for Sr4Al6SO16 / I-43m (217) / materials id 14161 - MDR: NIMS...
Ab-initio phonon calculation for Sr4Al6SO16 / I-43m (217) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are...
https://mdr.nims.go.jp/datasets/a68bf02f-2f0b-40ef-9b8e-49150871f1e0?locale=en
Ab-initio phonon calculation for Er2O3 / C2/m (12) / materials id 2460 - MDR: NIMS Materials Data...
Ab-initio phonon calculation for Er2O3 / C2/m (12) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are presented....
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
https://research.utwente.nl/en/publications/ab-initio-simulated-optical-response-of-hot-electrons-in-gold-and/
Ab initio-simulated optical response of hot electrons in gold and ruthenium - University of Twente...
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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Ab-initio phonon calculation for SiO2 / I4/mcm (140) / materials id 554543 - MDR: NIMS Materials...
Ab-initio phonon calculation for SiO2 / I4/mcm (140) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are...
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
https://research.uniupo.it/it/publications/ab-initio-modelling-of-semiconductor-nanoparticles-for-optoelectr/
Ab Initio Modelling of Semiconductor Nanoparticles for Optoelectronics and Photovoltaics -...
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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https://mdr.nims.go.jp/datasets/93a7ed87-0e83-4d1e-a152-8a7463a1cce9
Ab-initio phonon calculation for Zr3GeO8 / I-42m (121) / materials id 27888 - MDR: NIMS Materials...
Ab-initio phonon calculation for Zr3GeO8 / I-42m (121) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are...
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https://research-portal.st-andrews.ac.uk/en/publications/a-new-ab-initio-powder-method-and-profile-refinement-in-materials/
A new ab initio powder method and profile refinement in materials design: application to polymer...
https://psi-k.net/wps_forum_subs/iyyapparajan-11/page/25/
Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
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https://phys.washington.edu/events/2026-04-27/26-1-program-virtue-doubt-bayesian-uq-ab-initio-nuclear-theory
26 1 Program The Virtue of Doubt Bayesian UQ in Ab Initio Nuclear Theory | Department of Physics |...
This talk is featured as part of INT Program 26-1, "Nuclear Hamiltonians for Advancing Nuclear Physics and Beyond".The speaker will give this talk in-person in...
https://mdr.nims.go.jp/datasets/9e077c50-a008-4ebb-9a54-5520dd97cb97
Ab-initio phonon calculation for ThNCl / P4/nmm (129) / materials id 28065 - MDR: NIMS Materials...
Ab-initio phonon calculation for ThNCl / P4/nmm (129) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are...
https://www.mihunlimited.com/blog/ib-workshop-mania-ab-initio-and-language-b
IB Workshop Mania - Ab Initio / Language B - WHERE LANGUAGE AND FUN MEET
Thousands of Language Ab Initio teachers and Language B teachers are currently attending upskilling workshops (aka Subject-Specific Seminars) around the world....
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
https://repositori.urv.cat/estatic/TDX0011/ca_TDX989.html
Beyond Jablonski diagrams in organic systems: ab initio studies of substituted benzene derivatives
This thesis is focused on theoretical study of several photosensitive molecular systems. It covers the study of some frequently encountered processes:...
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
https://researchrepository.ul.ie/entities/publication/85ea6ad3-3f7a-48da-9055-299bbe029e6b
Ab-initio predictions of the energy harvesting performance of L-arginine and L-valine single...
Biological piezoelectric materials are beginning to gain attention for their huge potential as eco-friendly energy harvesting materials. In particular, simple...
https://eprints.soton.ac.uk/174129/
A combined ab initio and Franck-Condon factor simulation study on the photdetachmnent spectrumn of...
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
https://elsevier.digitalcommonsdata.com/datasets/z7dbz8x47b/1
Quantum mechanical cluster calculations of ionic materials: Revision 10 of theab initio Perturbed...
Abstract We present the 10th revision of the pi7 code, a program to calculate the electronic structure of ionic materials by means of theab initio Perturbed...
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
https://mdr.nims.go.jp/datasets/b7a8b051-d367-4a8b-a0f5-a66606c054b1
Ab-initio phonon calculation for Si2Ru / Cmce (64) / materials id 569815 - MDR: NIMS Materials Data...
Ab-initio phonon calculation for Si2Ru / Cmce (64) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are presented....
https://cordis.europa.eu/project/id/101152722/it
Ab initio nucleaR Reactions in the Discovery perioD of exotic nuclei. | R2D2 | Progetto | Scheda...
A century after its discovery, the atomic nucleus remains a subtle organization of protons and neutrons interacting through QCD. Its properties are the driving...
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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https://mdr.nims.go.jp/datasets/8db49f6b-4d79-4d68-8d76-67166c2db8d8?locale=ja
Ab-initio phonon calculation for Ba2Tl(HO)7 / C2/c (15) / materials id 757586 - MDR: NIMS Materials...
Ab-initio phonon calculation for Ba2Tl(HO)7 / C2/c (15) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are...
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,...
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
https://arxiv.org/abs/2010.06761
[2010.06761] Ab-initio study of electronic and magnetic properties of Mn$_2$RuZ/MgO (001)...
Abstract page for arXiv paper 2010.06761: Ab-initio study of electronic and magnetic properties of Mn$_2$RuZ/MgO (001) heterojunctions (Z= Al, Ga, Si, Ge)
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
https://mdr.nims.go.jp/datasets/050519d9-3a0d-4373-8e4a-6f16bba10f8c?locale=ja
Ab-initio phonon calculation for Sr(SbO3)2 / P-31m (162) / materials id 9126 - MDR: NIMS Materials...
Ab-initio phonon calculation for Sr(SbO3)2 / P-31m (162) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are...
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
https://mdr.nims.go.jp/datasets/7d91738a-09de-4334-93e0-da4be5c00c46
Ab-initio phonon calculation for Nb3Se10Cl3 / P2_1/m (11) / materials id 571061 - MDR: NIMS...
Ab-initio phonon calculation for Nb3Se10Cl3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon raw data are...
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials
https://chriswoodgate.github.io/talks/2025-08-27-psik
Crystallographic orderings in high-entropy alloys induced by the addition of Al: Ab initio theory...
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
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Psi-k | Ab initio (from electronic structure) calculation of complex processes in materials
Ab initio (from electronic structure) calculation of complex processes in materials