Espen Flage−Larsen

SINTEF — Norway

Materials Science · Physical Sciences

16h-index1.3kcitations41works0.02yr avg
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Research Topics

Advanced Thermoelectric Materials and Devices(20), Thermal properties of materials(7), Thermal Expansion and Ionic Conductivity(6), Semiconductor materials and devices(5), Machine Learning in Materials Science(5)

Publications41 total

Automated workflow for accurate high-throughput GW calculations using plane waves
npj Computational Materials·2025Open Access
Automated Workflow for Accurate High-Throughput GW Calculations
arXiv (Cornell University)·2024Open Access
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
Nature Reviews Physics·2023· 64 citedOpen Access
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
arXiv (Cornell University)·2023· 5 citedOpen Access
Common workflows for computing material properties using different quantum engines
npj Computational Materials·2021· 3 citedOpen Access
Screening of thermoelectric silicides with atomistic transport calculations
Journal of Applied Physics·2020· 7 citedOpen Access
Effectiveness of Neural Networks for Research on Novel Thermoelectric Materials. A Proof of Concept
Communications in computer and information science·2019
Effects of electron-phonon coupling on absorption spectrum: <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>K</mml:mi></mml:math> edge of hexagonal boron nitride
Physical review. B./Physical review. B·2018· 51 cited
Electron–phonon coupling in semiconductors within the GW approximation
New Journal of Physics·2018· 99 citedOpen Access
Thermoelectric effect in superlattices; applicability of coherent and incoherent transport models
Computational Materials Science·2018· 7 citedOpen Access
A Monte Carlo method for solving the NEGF equations for electron transport
arXiv (Cornell University)·2018Open Access
Thermoelectric transport calculations using the Landauer approach, ballistic quantum transport simulations, and the Buttiker approximation
Computational Materials Science·2017· 7 citedOpen Access
Charge carrier passivating nitrogen–phosphorus defects in crystalline silicon
Computational Materials Science·2014· 3 cited
Linker Conformation Effects on the Band Gap in Metal–Organic Frameworks
Inorganic Chemistry·2014· 30 cited
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>β</mml:mi></mml:math>-Si<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>3</mml:mn></mml:msub></mml:math>N<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>4</mml:mn></mml:msub></mml:math>(0001)/Si(111) interface: Phosphorus defects, valence band offsets, and their role of passivating the interface states
Physical Review B·2013· 12 cited
Band Gap Modulations in UiO Metal–Organic Frameworks
The Journal of Physical Chemistry C·2013· 123 cited
Band Structure Guidelines for Higher Figure-of-Merit: Analytic Band Generation and Energy Filtering
2012· 6 cited
Charge-ordered spinel AlV<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>2</mml:mn></mml:msub></mml:math>O<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>4</mml:mn></mml:msub></mml:math>: High-energy-resolution EELS and computational studies
Physical Review B·2012· 11 cited
The crystalline Si3N4/Si interface; the electronic structure of defects
Bulletin of the American Physical Society·2012
High temperature Seebeck coefficient and resistance measurement system for thermoelectric materials in the thin disk geometry
Review of Scientific Instruments·2012· 24 cited
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Frequent Co-authors

G. Jeffrey Snyder(8), Georg Kresse(8), Øystein Prytz(8), Ole Martin Løvvik(8), Eric S. Toberer(7), Nicola Marzari(5), J. Taftø(5), Alex Zevalkink(4), Andrew F. May(4), Michael Wolloch(4), Emanuele Bosoni(3), Marnik Bercx(3), Peter Blaha(3), J. D. Broder(3), Augustin Degomme(3), Vladimir Dikan(3), Kristjan Eimre(3), Alberto Garcı́a(3), Luigi Genovese(3), Sebastiaan P. Huber(3)