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The last 5 uploaded publications
Zero-point renormalization of the band gap of semiconductors and insulators using the projector augmented wave method
Manuel Engel, Henrique Miranda, Laurent Chaput, Atsushi Togo, Carla Verdi, Martijn Marsman, Kresse Georg (2022). Zero-point renormalization of the band gap of semiconductors and insulators using the projector augmented wave method. Physical review. B./Physical review. B, 106(9), DOI: 10.1103/physrevb.106.094316.
Article170 days agoEfficient periodic density functional theory calculations of charged molecules and surfaces using Coulomb kernel truncation
Sudarshan Vijay, Martin Schlipf, Henrique Miranda, Ferenc Karsai, Merzuk Kaltak, Martijn Marsman, Kresse Georg (2025). Efficient periodic density functional theory calculations of charged molecules and surfaces using Coulomb kernel truncation. arXiv (Cornell University), DOI: 10.48550/arxiv.2501.02435.
Preprint170 days agoExploring the accuracy of the equation-of-motion coupled-cluster band gap of solids
Evgeny Moerman, Henrique Miranda, Alejandro Gallo, Andreas Irmler, Tobias Schäfer, Felix Hummel, Manuel Engel, Kresse Georg, Matthias Scheffler, Andreas Grüneis (2025). Exploring the accuracy of the equation-of-motion coupled-cluster band gap of solids. arXiv (Cornell University), DOI: 10.48550/arxiv.2501.18667.
Preprint170 days agoExploring the accuracy of the equation-of-motion coupled-cluster band gap of solids
Evgeny Moerman, Henrique Miranda, Alejandro Gallo, Andreas Irmler, Tobias Schäfer, Felix Hummel, Manuel Engel, Kresse Georg, Matthias Scheffler, Andreas Grüneis (2025). Exploring the accuracy of the equation-of-motion coupled-cluster band gap of solids. Physical review. B./Physical review. B, 111(12), DOI: 10.1103/physrevb.111.l121202.
Article170 days agoAccurate Electron-phonon Interactions from Advanced Density Functional Theory
Yanyong Wang, Manuel Engel, Christopher Lane, Henrique Miranda, Lin Hou, B. Barbiellini, R. S. Markiewicz, Jian‐Xin Zhu, Kresse Georg, Arun Bansil, Jianwei Sun, Ruiqi Zhang (2024). Accurate Electron-phonon Interactions from Advanced Density Functional Theory. arXiv (Cornell University), DOI: 10.48550/arxiv.2411.08192.
Preprint170 days ago