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Full name Familienname, Vorname
Tran, Fabien
 
Main Affiliation Organisations­zuordnung
 

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Results 1-20 of 117 (Search time: 0.003 seconds).

PreviewAuthor(s)TitleTypeIssue Date
1Doumont, Jan ; Tran, Fabien ; Blaha, Peter Erratum: Implementation of self-consistent MGGA functionals in augmented plane wave based methods (Phys. Rev. B (2022) 105 (195138) DOI: 10.1103/PhysRevB.105.195138)Article Artikel15-Oct-2022
2Kovács, Péter ; Tran, Fabien ; Blaha, Peter ; Madsen, Georg K H What is the optimal mGGA exchange functional for solids?Article Artikel 2-Sep-2022
3Ghosh, Arghya ; Jana, Subrata ; Niranjan, Manish K. ; Tran, Fabien ; Wimberger, David ; Blaha, Peter ; Constantin, Lucian A. ; Samal, Prasanjit Correct and Accurate Polymorphic Energy Ordering of Transition-Metal Monoxides Obtained from Semilocal and Onsite-Hybrid Exchange-Correlation ApproximationsArticle Artikel 1-Sep-2022
4Kovacs, Peter ; Tran, Fabien ; Blaha, Peter ; Madsen, Georg Kent Hellerup What is the optimal mGGA exchange functional for solids?Inproceedings Konferenzbeitrag23-Aug-2022
5Kovacs, Peter ; Tran, Fabien ; Hanbury, Allan ; Madsen, Georg Kent Hellerup Similarity Clustering for Representative Sets of Inorganic Solids for Density Functional TestingArticle Artikel 11-Jan-2022
6Doumont, Jan ; Tran, Fabien ; Blaha, Peter Implementation of self-consistent MGGA functionals in augmented plane wave based methodsArtikel Article 2022
7Patra, Abhilash ; Jana, Subrata ; Samal, Prasanjit ; Tran, Fabien ; Kalantari, Leila ; Doumont, Jan ; Blaha, Peter Efficient Band Structure Calculation of Two-Dimensional Materials from Semilocal Density FunctionalsArtikel Article 2021
8Kalantari, Leila ; Tran, Fabien ; Blaha, Peter Density analysis for estimating the degree of on-site correlation on transition-metal atoms in extended systemsArtikel Article 2021
9Rubel, Oleg ; Tran, Fabien ; Rocquefelte, Xavier ; Blaha, Peter Perturbation approach to ab initio effective mass calculationsArtikel Article 2021
10Kalantari, Leila ; Tran, Fabien ; Blaha, Peter Density Functional Theory Study of Metal and Metal-Oxide Nucleation and Growth on the Anatase TiO₂(101) SurfaceArtikel Article 2021
11Tran, Fabien ; Doumont, Jan ; Kalantari, Leila ; Blaha, Peter ; Rauch, Thomas ; Borlido, Pedro ; Botti, Silvana ; Marques, Miguel A. L. ; Patra, Abhilash ; Jana, Subrata ; Samal, Prasanjit Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionalsArtikel Article 2021
12Borlido, Pedro ; Doumont, Jan ; Tran, Fabien ; Marques, Miguel A. L. ; Botti, Silvana Validation of Pseudopotential Calculations for the Electronic Band Gap of SolidsArtikel Article 2020
13Borlido, Pedro ; Schmidt, Jonathan ; Huran, Ahmad W. ; Tran, Fabien ; Marques, Miguel A. L. ; Botti, Silvana Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learningArtikel Article 2020
14Blaha, Peter ; Schwarz, Karlheinz ; Tran, Fabien ; Laskowski, Robert ; Madsen, Georg K. H. ; Marks, Laurence D. WIEN2k: An APW+lo program for calculating the properties of solidsArtikel Article 2020
15Tran, Fabien ; Baudesson, Guillaume ; Carrete, Jesús ; Madsen, Georg K. H. ; Blaha, Peter ; Schwarz, Karlheinz ; Singh, David J. Shortcomings of meta-GGA functionals when describing magnetismArtikel Article 2020
16Tran, Fabien ; Doumont, Jan ; Kalantari, Leila ; Huran, Ahmad W. ; Marques, Miguel A. L. ; Blaha, Peter Semilocal exchange-correlation potentials for solid-state calculations: Current status and future directionsArtikel Article 2019
17Kovács, Péter ; Tran, Fabien ; Blaha, Peter ; Madsen, Georg K. H. Comparative study of the PBE and SCAN functionals: The particular case of alkali metalsArtikel Article 2019
18Tran, Fabien ; Kalantari, Leila ; Traoré, Boubacar ; Rocquefelte, Xavier ; Blaha, Peter Nonlocal van der Waals functionals for solids: Choosing an appropriate oneArtikel Article 2019
19Tran, F ; Blaha, Peter Density-gradient-free variable in exchange-correlation functionals for detecting inhomogeneities in the electron densityPräsentation Presentation2019
20Tran, F Advanced DFT: Hybrid-DFT, vdW-DFT, LDA+U, mBJPräsentation Presentation2019