Institution · European Theoretical Spectroscopy Facility
Most cited papers from European Theoretical Spectroscopy Facility
What are the most cited papers from European Theoretical Spectroscopy Facility?
The most cited paper from European Theoretical Spectroscopy Facility is "ABINIT: First-principles approach to material and nanosystem properties" (Xavier Gonze et al., 2009), with 2,716 citations. Next come "The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table" (2,224) and "BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients" (1,671).
Showing 50 of 60 papers. Every paper with more than 144 citations is listed.
| # | Paper | ||
|---|---|---|---|
| 1 | ABINIT: First-principles approach to material and nanosystem properties Xavier Gonze et al. · Computer Physics Communications | 23 Jul 2009 | 2,716 |
| 2 | The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table Michiel J. van Setten, Matteo Giantomassi, Éric Bousquet et al. · Computer Physics Communications | 6 Feb 2018 | 2,224 |
| 3 | BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients Georg K. H. Madsen, Jesús Carrete, Matthieu Jean Verstraete · Computer Physics Communications | 17 May 2018 | 1,671 |
| 4 | yambo: An ab initio tool for excited state calculations Andrea Marini, Conor Hogan, Myrta Grüning et al. · Computer Physics Communications | 15 Feb 2009 | 1,237 |
| 5 | Recent developments in the ABINIT software package Xavier Gonze et al. · Computer Physics Communications | 22 Apr 2016 | 912 |
| 6 | octopus:a tool for the application of time‐dependent density functional theory Alberto Castro, Heiko Appel, Micael J. T. Oliveira et al. · physica status solidi (b) | 7 Jun 2006 | 902 |
| 7 | Josephson Junction Arrays with Bose-Einstein Condensates F. S. Cataliotti, Sven Burger, C. Fort et al. · Science | 3 Aug 2001 | 865 |
| 8 | The Abinitproject: Impact, environment and recent developments Xavier Gonze et al. · Computer Physics Communications | 18 Nov 2019 | 759 |
| 9 | Low Hole Effective Mass p-type Transparent Conducting Oxides: Identification and Design Principles Geoffroy Hautier, Anna Miglio, Gerbrand Ceder et al. · arXiv (Cornell University) | 22 Apr 2013 | 641 |
| 10 | Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure Marc Torrent, Francois Jollet, François Bottin et al. · Computational Materials Science | 12 Sep 2007 | 609 |
| 11 | FireWorks: a dynamic workflow system designed for high‐throughput applications Anubhav Jain, Shyue Ping Ong, Wei Chen et al. · Concurrency and Computation Practice and Experience | 18 May 2015 | 578 |
| 12 | Coherent ultrafast charge transfer in an organic photovoltaic blend Sarah Maria Falke, Carlo Andrea Rozzi, Daniele Brida et al. · Science | 29 May 2014 | 559 |
| 13 | Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems Xavier Andrade, David A. Strubbe, Umberto De Giovannini et al. · Physical Chemistry Chemical Physics | 2015 | 546 |
| 14 | Many-body perturbation theory calculations using the yambo code Davide Sangalli, Andrea Ferretti, Henrique Pereira Coutada Miranda et al. · Journal of Physics Condensed Matter | 3 Apr 2019 | 533 |
| 15 | Exact Factorization of the Time-Dependent Electron-Nuclear Wave Function Ali Abedi, Neepa T. Maitra, Eberhard K. U. Gross · Physical Review Letters | 15 Sep 2010 | 483 |
| 16 | Density-based mixing parameter for hybrid functionals Miguel A. L. Marques, Julien Vidal, Micael J. T. Oliveira et al. · Physical Review B | 19 Jan 2011 | 406 |
| 17 | exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory Andris Guļāns, Stefan Kontur, Christian Meisenbichler et al. · Journal of Physics Condensed Matter | 19 Aug 2014 | 384 |
| 18 | Stability and electronic properties of new inorganic perovskites from high-throughput ab initio calculations Sabine Körbel, Miguel A. L. Marques, Silvana Botti · Journal of Materials Chemistry C | 2016 | 353 |
| 19 | ABINIT: Overview and focus on selected capabilities Aldo Humberto Romero et al. · The Journal of Chemical Physics | 24 Mar 2020 | 347 |
| 20 | Crystal Structure of Cold Compressed Graphite Maximilian Amsler, José A. Flores‐Livas, Lauri Lehtovaara et al. · Physical Review Letters | 7 Feb 2012 | 338 |
| 21 | Large-Scale Benchmark of Exchange–Correlation Functionals for the Determination of Electronic Band Gaps of Solids Pedro Borlido, Thorsten Aull, Ahmad W. Huran et al. · Journal of Chemical Theory and Computation | 15 Jul 2019 | 329 |
| 22 | The GW approximation: content, successes and limitations Lucia Reining · Wiley Interdisciplinary Reviews Computational Molecular Science | 27 Dec 2017 | 298 |
| 23 | DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science Andrew M. Teale et al. · Physical Chemistry Chemical Physics | 2022 | 287 |
| 24 | Instantaneous Band Gap Collapse in Photoexcited Monoclinic VO2 due to Photocarrier Doping Daniel Wegkamp, Marc Herzog, Lede Xian et al. · Physical Review Letters | 17 Nov 2014 | 264 |
| 25 | Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction Ali Abedi, Neepa T. Maitra, E. K. U. Gross · The Journal of Chemical Physics | 27 Aug 2012 | 258 |
| 26 | Plasmonic quantum size effects in silver nanoparticles are dominated by interfaces and local environments Alfredo Campos, Nicolas Troc, E. Cottancin et al. · Nature Physics | 5 Nov 2018 | 255 |
| 27 | Electron–phonon physics from first principles using the EPW code Hyungjun Lee, Samuel Poncé, Kyle Bushick et al. · npj Computational Materials | 25 Aug 2023 | 243 |
| 28 | Ellipticity dependence of high-harmonic generation in solids originating from coupled intraband and interband dynamics Nicolas Tancogne-Dejean, Oliver D. Mücke, Franz X. Kärtner et al. · Nature Communications | 25 Sep 2017 | 235 |
| 29 | Linear Plasmon Dispersion in Single-Wall Carbon Nanotubes and the Collective Excitation Spectrum of Graphene Christian Kramberger, Ralf Hambach, Christine Giorgetti et al. · Physical Review Letters | 14 May 2008 | 235 |
| 30 | Time-dependent density-functional theory for extended systems Silvana Botti, Arno Schindlmayr, Rodolfo Del Sole et al. · Reports on Progress in Physics | 13 Feb 2007 | 235 |
| 31 | Understanding Correlations in Vanadium Dioxide from First Principles Matteo Gatti, Fabien Bruneval, Valério Olevano et al. · Physical Review Letters | 28 Dec 2007 | 231 |
| 32 | Electronic properties and quantum transport in Graphene-based nanostructures Simon M.‐M. Dubois, Zeila Zanolli, Xavier Declerck et al. · The European Physical Journal B | 5 Oct 2009 | 227 |
| 33 | Kadanoff-Baym approach to quantum transport through interacting nanoscale systems: From the transient to the steady-state regime Petri Myöhänen, Adrian Stan, Gianluca Stefanucci et al. · Physical Review B | 8 Sep 2009 | 224 |
| 34 | Unified description of ground and excited states of finite systems: The self-consistent GW approach Fabio Caruso, Patrick Rinke, Xinguo Ren et al. · Physical Review B | 14 Aug 2012 | 217 |
| 35 | Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations Lianhua He, Fang Liu, Geoffroy Hautier et al. · Physical Review B | 21 Feb 2014 | 215 |
| 36 | A step forward towards sustainable aerobic alcohol oxidation: new and revised catalysts based on transition metals on solid supports Camilla Parmeggiani, Camilla Matassini, Francesca Cardona · Green Chemistry | 2017 | 201 |
| 37 | Ab InitioFinite-Temperature Excitons Andrea Marini · Physical Review Letters | 4 Sep 2008 | 196 |
| 38 | Temperature dependence of the electronic structure of semiconductors and insulators Samuel Poncé, Yannick Gillet, Jonathan Laflamme Janssen et al. · The Journal of Chemical Physics | 28 Jul 2015 | 192 |
| 39 | Origin of the Optical Contrast in Phase-Change Materials Wojciech Wełnic, Silvana Botti, Lucia Reining et al. · Physical Review Letters | 6 Jun 2007 | 189 |
| 40 | First-Principles Optical Spectra for F Centers in MgO Patrick Rinke, André Schleife, Emmanouil Kioupakis et al. · Physical Review Letters | 20 Mar 2012 | 187 |
| 41 | Energetics of atomic scale structure changes in graphene Stephen T. Skowron, Irina V. Lebedeva, А. М. Попов et al. · Chemical Society Reviews | 2015 | 186 |
| 42 | Reduced density matrix functional for many-electron systems S. Sharma, J. K. Dewhurst, Nektarios N. Lathiotakis et al. · Physical Review B | 24 Nov 2008 | 179 |
| 43 | Palette of fluorinated voltage-sensitive hemicyanine dyes Ping Yan, Corey D. Acker, Wen‐Liang Zhou et al. · Proceedings of the National Academy of Sciences | 20 Nov 2012 | 178 |
| 44 | Reversible switching in phase-change materials Wojciech Wełnic, Matthias Wuttig · Materials Today | 21 May 2008 | 174 |
| 45 | Quantum Spin Transport in Carbon Chains Zeila Zanolli, Giovanni Onida, Jean‐Christophe Charlier · ACS Nano | 25 Aug 2010 | 173 |
| 46 | Tin dioxide from first principles: Quasiparticle electronic states and optical properties André Schleife, Joel Basile Varley, Frank Fuchs et al. · Physical Review B | 18 Jan 2011 | 172 |
| 47 | Self-consistent GW : All-electron implementation with localized basis functions Fabio Caruso, Patrick Rinke, Xinguo Ren et al. · Physical Review B | 5 Aug 2013 | 169 |
| 48 | Assessment of correlation energies based on the random-phase approximation Joachim A. Paier, Xinguo Ren, Patrick Rinke et al. · New Journal of Physics | 2 Apr 2012 | 166 |
| 49 | Band Offsets at the Si / SiO 2 Interface from Many-Body Perturbation Theory Riad Shaltaf, Gian‐Marco Rignanese, Xavier Gonze et al. · Physical Review Letters | 5 May 2008 | 165 |
| 50 | How Does Chemistry Influence Electron Effective Mass in Oxides? A High-Throughput Computational Analysis Geoffroy Hautier, Anna Miglio, David Waroquiers et al. · Chemistry of Materials | Oct 2014 | 165 |
Citations are OpenAlex's own counts, from its 2026-09-23 snapshot, so the ranking can differ from Google Scholar or Web of Science. A paper is listed for an institution when any of its authors gave it as an affiliation; retracted papers and papers whose citation count cannot be traced to citing works are left out, and a preprint and the article it became are shown once. Release dates are OpenAlex's: where a source gave only a month or a year, that is what is shown. How the lists are chosen.