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The last 5 uploaded publications
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Cu</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mtext>ZnSnS</mml:mtext></mml:mrow><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>as a potential photovoltaic material: A hybrid Hartree-Fock density functional theory study
Joachim Paier, Ryoji Asahi, A. Nagoya, Kresse Georg (2009). <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Cu</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mtext>ZnSnS</mml:mtext></mml:mrow><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>as a potential photovoltaic material: A hybrid Hartree-Fock density functional theory study. Physical Review B, 79(11), DOI: 10.1103/physrevb.79.115126.
Article187 days agoDefect formation and phase stability of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Cu</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mtext>ZnSnS</mml:mtext></mml:mrow><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>photovoltaic material
A. Nagoya, Ryoji Asahi, Roman Wahl, Kresse Georg (2010). Defect formation and phase stability of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Cu</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mtext>ZnSnS</mml:mtext></mml:mrow><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>photovoltaic material. Physical Review B, 81(11), DOI: 10.1103/physrevb.81.113202.
Article187 days agoOn-the-Fly Active Learning of Interatomic Potentials for Large-Scale Atomistic Simulations
Ryosuke Jinnouchi, Kazutoshi Miwa, Ferenc Karsai, Kresse Georg, Ryoji Asahi (2020). On-the-Fly Active Learning of Interatomic Potentials for Large-Scale Atomistic Simulations. The Journal of Physical Chemistry Letters, 11(17), pp. 6946-6955, DOI: 10.1021/acs.jpclett.0c01061.
Article187 days agoDescriptors representing two- and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials
Ryosuke Jinnouchi, Ferenc Karsai, Carla Verdi, Ryoji Asahi, Kresse Georg (2020). Descriptors representing two- and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials. The Journal of Chemical Physics, 152(23), DOI: 10.1063/5.0009491.
Article187 days agoFirst-principles Study of Cu2ZnSnS4 Photovoltaic Absorber
Ryoji Asahi, A. Nagoya, Kresse Georg (2010). First-principles Study of Cu2ZnSnS4 Photovoltaic Absorber. Bulletin of the American Physical Society, 2010
Article169 days ago