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F

Fabien Tran

Technische Universitat Wien

36H-index
81Paper Count
1.9WCitation Count
Published Papers 52
Publication Date
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Implementation of self-consistent MGGA functionals in augmented plane wave based methods (vol 105, 195138, 2022)
errPHYSICAL REVIEW B
IF3.7
err2022-10-19
err0
errOAAI
errDoumont, Jan; Tran, Fabien; Blaha, Peter
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Efficient and improved prediction of the band offsets at semiconductor heterojunctions from meta-GGA density functionals: A benchmark study
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-09-27
err15
errOAAI
errGhosh, Arghya; Jana, Subrata; Rauch, Tomas; Tran, Fabien; Marques, Miguel A. L.; Botti, Silvana; Constantin, Lucian A.; Niranjan, Manish K.; Samal, Prasanjit
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What is the optimal mGGA exchange functional for solids?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-09-02
err13
errOAAI
errKovacs, Peter; Tran, Fabien; Blaha, Peter; Madsen, Georg K. H.
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Correct and Accurate Polymorphic Energy Ordering of Transition-Metal Monoxides Obtained from Semilocal and Onsite-Hybrid Exchange-Correlation Approximations
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2022-08-19
err4
errOAAI
errGhosh, Arghya; Jana, Subrata; Niranjan, Manish K.; Tran, Fabien; Wimberger, David; Blaha, Peter; Constantin, Lucian A.; Samal, Prasanjit
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errSave
Implementation of self-consistent MGGA functionals in augmented plane wave based methods
errPHYSICAL REVIEW B
IF3.7
err2022-05-25
err8
errOAAI
errDoumont, Jan; Tran, Fabien; Blaha, Peter
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errSave
Similarity Clustering for Representative Sets of Inorganic Solids for Density Functional Testing
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-12-17
err1
errOAAI
errKovacs, Peter; Tran, Fabien; Hanbury, Allan; Madsen, Georg K. H.
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Density analysis for estimating the degree of on-site correlation on transition-metal atoms in extended systems
errPHYSICAL REVIEW B
IF3.7
err2021-10-19
err0
errOAAI
errKalantari, Leila; Tran, Fabien; Blaha, Peter
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Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-09-08
err33
errOAAI
errTran, Fabien; Doumont, Jan; Kalantari, Leila; Blaha, Peter; Rauch, Tomas; Borlido, Pedro; Botti, Silvana; Marques, Miguel A. L.; Patra, Abhilash; Jana, Subrata; Samal, Prasanjit
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Efficient Band Calculation of Two-Dimensional Materials from Semilocal Density Functionals
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-05-13
err25
errOAAI
errPatra, Abhilash; Jana, Subrata; Samal, Prasanjit; Tran, Fabien; Kalantari, Leila; Doumont, Jan; Blaha, Peter
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Perturbation approach to ab initio effective mass calculations
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2021-04-01
err26
errOAAI
errRubel, Oleg; Tran, Fabien; Rocquefelte, Xavier; Blaha, Peter
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Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2020-07-10
err217
errOAAI
errBorlido, Pedro; Schmidt, Jonathan; Huran, Ahmad W.; Tran, Fabien; Marques, Miguel A. L.; Botti, Silvana
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errSave
Shortcomings of meta-GGA functionals when describing magnetism
errPHYSICAL REVIEW B
IF3.7
err2020-07-06
err33
errOAAI
errTran, Fabien; Baudesson, Guillaume; Carrete, Jess; Madsen, Georg K. H.; Blaha, Peter; Schwarz, Karlheinz; Singh, David J.
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errSave
Validation of Pseudopotential Calculations for the Electronic Band Gap of Solids
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-05-14
err48
errOAAI
errBorlido, Pedro; Doumont, Jan; Tran, Fabien; Marques, Miguel A. L.; Botti, Silvana
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errSave
WIEN2k: An APW+lo program for calculating the properties of solids
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-02-19
err1.6K
errOAAI
errBlaha, Peter; Schwarz, Karlheinz; Tran, Fabien; Laskowski, Robert; Madsen, Georg K. H.; Marks, Laurence D.
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On the calculation of the bandgap of periodic solids with MGGA functionals using the total energy (vol 151, 161102, 2019)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-12-09
err0
PREAI
errTran, Fabien; Doumont, Jan; Blaha, Peter; Marques, Miguel A. L.; Botti, Silvana; Bartok, Albert P.
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errSave
On the calculation of the bandgap of periodic solids with MGGA functionals using the total energy
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-10-30
err11
errOAAI
errTran, Fabien; Doumont, Jan; Blaha, Peter; Marques, Miguel A. L.; Botti, Silvana; Bartok, Albert P.
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errSave
Large-Scale Benchmark of Exchange-Correlation Functionals for the Determination of Electronic Band Gaps of Solids
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-07-15
err204
errOAAI
errBorlido, Pedro; Aull, Thorsten; Huran, Ahmad W.; Tran, Fabien; Marques, Miguel A. L.; Botti, Silvana
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Comparative study of the PBE and SCAN functionals: The particular case of alkali metals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-04-25
err21
errOAAI
errKovacs, Peter; Tran, Fabien; Blaha, Peter; Madsen, Georg K. H.
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errSave
Limitations of the DFT-1/2 method for covalent semiconductors and transition-metal oxides
errPHYSICAL REVIEW B
IF3.7
err2019-03-01
err31
errOAAI
errDoumont, Jan; Tran, Fabien; Blaha, Peter
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Efficient and accurate calculation of band gaps of halide perovskites with the Tran-Blaha modified Becke-Johnson potential
errPHYSICAL REVIEW B
IF3.7
err2019-01-18
err74
errOAAI
errTraore, Boubacar; Bouder, Gaelle; Lafargue-Dit-Hauret, William; Rocquefelte, Xavier; Katan, Claudine; Tran, Fabien; Kepenekian, Mikael
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Research Directions

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Co-authors
Cooperation Journals
G
Georg Kresse
H-index: 128 · Papers: 503
D
David J. Singh
H-index: 106 · Papers: 1.0K
S
Stefan Blügel
H-index: 95 · Papers: 1.0K
P
Peter Blaha
H-index: 87 · Papers: 483
K
Karlheinz Schwarz
H-index: 78 · Papers: 354
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