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Zuwachs für das Research Center Future Energy Materials ...Ruhr-Universität Bochum
news.rub.de
— Dr. Silvana Botti und Prof. Dr. Miguel Marques seit April an der Ruhr-Universität Bochum. Mit ihren Expertisen in Natur- und ...
A Minima Hopping Study of All-Atom Protein Folding and ...ACS Publications
pubs.acs.org
von S Roy · · Zitiert von: 46 — Silvana Botti, José A. Flores-Livas, Maximilian Amsler, Stefan Goedecker, Miguel A. L. Marques. Low-energy silicon allotropes with strong ...
Large-scale machine-learning-assisted exploration of the ...arXiv
arxiv.org
von J Schmidt · · Zitiert von: 6 — ... Silvana Botti (3), Miguel A. L. Marques (1) ((1) Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, (2) Department of Physics ...
Defect levels from SCAN and MBJ meta-GGA exchange ...
journals.aps.org
von T Rauch · — Tomáš Rauch, Francisco Munoz, Miguel A. L. Marques, and Silvana Botti. Phys. Rev. · and Silvana Botti. Phys. Rev. B 104, – Published 11 August › doi › PhysRe...
[ ] Density-based mixing parameter for hybrid functionals
arxiv.org
Authors: Miguel A. L. Marques, Julien Vidal, Micael J. T. Oliveira, Lucia Reining, Silvana Botti. (Submitted on 22 Sep 2010). Abstract: A very popular ab-initio scheme to calculate electronic properties in solids is the use of hybrid functionals in density functional theory (DFT) that mixes a portion of Fock exchange with DFT ...
Citing Octopus - OctopusWiki
octopus-code.org
Xavier Andrade, Silvana Botti, Miguel Marques and Angel Rubio, Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities, J. Chem. Phys (2007). If you use GPUs: X. Andrade and A. Aspuru-Guzik, Real-Space Density Functional Theory on ...
Roadmap on Machine Learning in Electronic StructureKulik Research Group
hjkgrp.mit.edu
Heather J. Kulik, Thomas Hammerschmidt, Jonathan Schmidt, Silvana Botti, Miguel A. L. Marques, Mario Boley, Matthias Scheffler, Milica Todorović, ...
Recent advances and applications of machine learning in ...Nature Journal
www.nature.com
von J Schmidt · · Zitiert von: — Silvana Botti & … Miguel A. L. Marques. Show authors. npj ... Silvana Botti. Authors. Jonathan Schmidt. View author publications. You ...
Time-Dependent Density-Functional Theory
jmyao17.github.io
von MAL Marques — Silvana Botti, Alberto Castro, Nektarios N. Lathiotakis,. Xavier Andrade and Miguel A. L. Marques, Phys. Chem. Chem. Phys., DOI: b c. › references › GCM-DFT
CZTSe thin-film solar cells | Max-Planck-Institut für ...
www.mpie.de
Torsten Schwarz, Miguel Marques, Silvana Botti, Marina Mousel, Alex Redinger, Susanne Siebentritt, Oana Cojocaru-Mirédin, Dierk Raabe, and Pyuck-Pa Choi, "Detection of Cu 2 Zn 5 SnSe 8 and Cu 2 Zn 6 SnSe 9 phases in co-evaporated Cu 2 ZnSnSe 4 …
IRIS Adlershof - ARCHIV TERMINE
www.iris-adlershof.de
Silvana Botti, CNRS and University of Lyon, France Christian Carbogno, FHI, Berlin, Germany Anton Kozhevnikov, CSCS, Switzerland Miguel Marques, University of Lyon ...
AG - Marques / Uni. Halle
tddft.org
Scientific Interests. I am Professor of Solid State Theory at the Friedrich-Schiller University of Jena. I am expert in the first-principles simulation of electronic excitations in complex and nanostructured materials. I like to work in close collaboration with experimental colleagues. My recent research activities focus on the ...
Missing: weißenfeld verwaltungs
Verhandlungen der Deutschen Physikalischen Gesellschaft
www.dpg-verhandlungen.de
... Miguel Alexandre Lopes Marques 1,2,3, and Silvana Botti 4,2,3 — 1 Martin-Luther-Universität Halle-Wittenberg, Germany — 2 Université ...
Verhandlungen der Deutschen Physikalischen Gesellschaft
www.dpg-verhandlungen.de
17:45: O 20.1: CuI as Potential p-type Transparent Conductor: Electronic and Optical Properties from First Principles — • Michael Seifert, Claudia Rödl, and Silvana Botti: 17:45: O 20.2: Hybrid functionals with self-consistent density-dependent mixing — • Thorsten U. Aull, Ahmad W. Huran, and Miguel A. L. Marques: 17:45: O
Verhandlungen der Deutschen Physikalischen Gesellschaft
www.dpg-verhandlungen.de
... Miguel A L Marques 2,3, and Silvana Botti 1,2 — 1 Institut für Festkörpertheorie und -optik, Friedrich-Schiller-Universität Jena, ...
Atomic and electronic properties of quasi-one-dimensional ...National Institutes of Health (.gov)
pubmed.ncbi.nlm.nih.gov
von LF Seivane · · Zitiert von: 30 — Authors. Lucas Fernandez Seivane , Hector Barron , Silvana Botti , Miguel Alexandre Lopes Marques , Angel Rubio , Xóchitl López-Lozano ...
Optical and magnetic properties of boron fullerenes - PubMed
pubmed.ncbi.nlm.nih.gov
von S Botti · · Zitiert von: 58 — Authors. Silvana Botti , Alberto Castro, Nektarios N Lathiotakis, Xavier Andrade, Miguel A L Marques. Affiliation. 1 Laboratoire des Solides Irradiés, ... › ...
Prediction of a novel monoclinic carbon allotrope
www.academia.edu
Prediction of a novel monoclinic carbon allotrope Maximilian Amsler,1 Jos´e A. Flores-Livas,2 Silvana Botti,3, 2 Miguel A.L. Marques,2, ∗ and Stefan Goedecker › Predict...
Speeding up the solution of the Bethe-Salpeter equation by a ...
hal.inria.fr
von D Kammerlander · · Zitiert von: 51 — David Kammerlander Silvana Botti 1, 2 Miguel A. L. Marques 1 Andrea Marini 3, 4, 5, 6 Claudio Attaccalite 7. Détails. 1 LPMCN - Laboratoire de Physique de ... › hal
Machine-Learning-Assisted Determination of the Global ...National Institutes of Health (.gov)
pubmed.ncbi.nlm.nih.gov
von J Schmidt · · Zitiert von: 9 — ... Silvana Botti , Miguel A L Marques. Affiliations. 1 Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, D , Halle, Germany. 2 CFisUC ...
News DetailsMaterials Chain
materials-chain.com
... Silvana Botti and Miguel Marques. Silvana Botti's research focus is on the theory of. https://www.uaruhr.de/news news html.en · About · Members · A-Z ...
Links - Materials X
materialsx.com
... Cyrus Umrigar – Cornell University; Vidvuds Ozolins – Yale University; S. Alireza Ghasemi – Institute for Advanced Studies in Basic Sciences; Stefan Goedecker – University of Basel; José Flores-Livas – University of Basel; Miguel Marques – Martin-Luther-Universität; Silvana Botti – Friedrich-Schiller University of Jena ...
Silvana BottiETSF
www.etsf.eu
Koerbel, Sabine, Miguel A. L. Marques, and Silvana Botti “Stability And Electronic Properties Of New Inorganic Perovskites From High-Throughput Ab Initio ...
Materials Cloud Archive
archive.materialscloud.org
· Jonathan Schmidt, Hai-Chen Wang, Tiago F. T. Cerqueira, Silvana Botti, Miguel A. L. Marques, A new dataset of 175k stable and metastable ...
Structural prediction of two-dimensional materials under ...OUCI
ouci.dntb.gov.ua
Pedro Borlido, Conrad Steigemann, Nektarios N Lathiotakis, Miguel A L Marques, Silvana Botti. Funder Deutsche Forschungsgemeinschaft. List of references.
materialscloud: Materials Cloud Archive
archive.materialscloud.org
— Hai-Chen Wang, Silvana Botti, Miguel A. L. Marques, Finding new crystalline compounds using chemical similarity, Materials Cloud Archive
materialscloud: Materials Cloud Archive
archive.materialscloud.org
— Cerqueira, Silvana Botti, Miguel A. L. Marques, A new dataset of 415k stable and metastable materials calculated with the PBEsol and SCAN ...
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