Fabien Tran

Physics and Astronomy · Physical Sciences

36h-index18.8kcitations81works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(37), Machine Learning in Materials Science(22), Advanced Condensed Matter Physics(10), Inorganic Fluorides and Related Compounds(10), Advanced Thermoelectric Materials and Devices(9)

Publications81 total

Semi-Local Exchange-Correlation Approximations in Density Functional Theory
ArXiv.org·2026Open Access
Semi-Local Exchange-Correlation Approximations in Density Functional Theory
arXiv (Cornell University)·2026Open Access
Capturing spin-torque effects with a semilocal exchange-correlation functional
arXiv (Cornell University)·2025Open Access
Erratum: Implementation of self-consistent MGGA functionals in augmented plane wave based methods [Phys. Rev. B <b>105</b>, 195138 (2022)]
Physical review. B./Physical review. B·2022Open Access
Efficient and improved prediction of the band offsets at semiconductor heterojunctions from meta-GGA density functionals: A benchmark study
The Journal of Chemical Physics·2022· 27 cited
Correct and Accurate Polymorphic Energy Ordering of Transition-Metal Monoxides Obtained from Semilocal and Onsite-Hybrid Exchange-Correlation Approximations
The Journal of Physical Chemistry C·2022· 5 cited
Efficient and improved prediction of the band offsets at semiconductor heterojunctions from meta-GGA density functionals
arXiv (Cornell University)·2022Open Access
What is the optimal mGGA exchange functional for solids?
The Journal of Chemical Physics·2022· 18 citedOpen Access
Implementation of self-consistent MGGA functionals in augmented plane wave based methods
Physical review. B./Physical review. B·2022· 16 citedOpen Access
Similarity Clustering for Representative Sets of Inorganic Solids for Density Functional Testing
Journal of Chemical Theory and Computation·2021· 2 citedOpen Access
Correct and accurate polymorphic energy ordering of transition-metal monoxides obtained from semilocal and onsite-hybrid exchange-correlation approximations
arXiv (Cornell University)·2021Open Access
Density Functional Theory Study of Metal and Metal-Oxide Nucleation and Growth on the Anatase TiO2(101) Surface
Computation·2021· 8 citedOpen Access
Density analysis for estimating the degree of on-site correlation on transition-metal atoms in extended systems
Physical review. B./Physical review. B·2021Open Access
Bandgap of two-dimensional materials: Thorough assessment of modern exchange–correlation functionals
The Journal of Chemical Physics·2021Open Access
Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionals
arXiv (Cornell University)·2021· 49 citedOpen Access
Efficient Band Structure Calculation of Two-Dimensional Materials from Semilocal Density Functionals
The Journal of Physical Chemistry C·2021· 34 citedOpen Access
Perturbation approach to ab initio effective mass calculations
Computer Physics Communications·2020· 40 citedOpen Access
Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning
npj Computational Materials·2020· 314 citedOpen Access
Shortcomings of meta-GGA functionals when describing magnetism
Physical review. B./Physical review. B·2020· 51 citedOpen Access
Validation of Pseudopotential Calculations for the Electronic Band Gap of Solids
Journal of Chemical Theory and Computation·2020· 1 citedOpen Access
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Frequent Co-authors

Peter Blaha(37), Karlheinz Schwarz(10), Dávid Koller(6), Georg K. H. Madsen(5), Robert Laskowski(5), P. Haas(5), Tomasz A. Wesołowski(5), Laurence D. Marks(4), Miguel A. L. Marques(4), Silvana Botti(4), P. Novák(3), Pedro Borlido(3), Jacques Weber(3), Jan Doumont(3), Subrata Jana(3), Prasanjit Samal(3), Ahmad W. Huran(2), Julia Stelzl(2), Xavier Rocquefelte(2), Jürg Hutter(2)