Authors: Schwade, Martin, Schilcher, Maximilian J., Reverón Baecker, Christian, Grumet, Manuel, Egger, David A.

Superior Title: Journal of Chemical Physics; 4/7/2024, Vol. 160 Issue 13, p1-10, 10p

Subject Terms: GALLIUM arsenide semiconductors, DENSITY functional theory, ATOMIC orbitals, HIGH temperatures, MACHINE learning

Authors: Grumet, Manuel, von Scarpatetti, Clara, Bučko, Tomáš, Egger, David A.

Contributors: Bundesministerium f?r Bildung und Forschung, FP7 People: Marie-Curie Actions, Gauss Centre for Supercomputing, Bayerisches Staatsministerium f?r Wissenschaft und Kunst, Alexander von Humboldt-Stiftung, Agent?ra na Podporu V?skumu a V?voja

Superior Title: The Journal of Physical Chemistry C ; volume 128, issue 15, page 6464-6470 ; ISSN 1932-7447 1932-7455

Availability: https://doi.org/10.1021/acs.jpcc.4c00886

Authors: Miyagawa, Takeru, Krishnan, Namita, Grumet, Manuel, Reverón Baecker, Christian, Kaiser, Waldemar, Egger, David

Superior Title: Journal of Materials Chemistry A ; ISSN 2050-7488 2050-7496

Subject Terms: General Materials Science, Renewable Energy, Sustainability and the Environment, General Chemistry

Availability: https://doi.org/10.1039/d4ta00452c
http://pubs.rsc.org/en/content/articlepdf/2024/TA/D4TA00452C

Authors: Caicedo-Dávila, Sebastián, Cohen, Adi, Motti, Silvia G.^{Aff3, Aff4}, Isobe, Masahiko, McCall, Kyle M.^{Aff6, Aff7, Aff10}, Grumet, Manuel, Kovalenko, Maksym V.^{Aff6, Aff7}, Yaffe, Omer, Herz, Laura M.^{Aff3, Aff8}, Fabini, Douglas H.^{Aff5, Aff9, IDs4146702448581x_cor10}, Egger, David A.^{Aff1, IDs4146702448581x_cor11}

Superior Title: Nature Communications. 15(1)

Authors: Schwade, Martin, Schilcher, Maximilian J., Baecker, Christian Reverón, Grumet, Manuel, Egger, David A.

Subject Terms: Materials Science cond-mat.mtrl-sci, FOS Physical sciences

Relation: https://dx.doi.org/10.1063/5.0197986

Availability: https://doi.org/10.48550/arxiv.2308.0889710.1063/5.0197986
https://arxiv.org/abs/2308.08897

Authors: Schwade, Martin, Schilcher, Maximilian J., Baecker, Christian Reverón, Grumet, Manuel, Egger, David A.

Subject Terms: Condensed Matter - Materials Science

Relation: http://arxiv.org/abs/2308.08897

Availability: http://arxiv.org/abs/2308.08897

Authors: Grumet, Manuel, von Scarpatetti, Clara, Bučko, Tomáš, Egger, David A.

Subject Terms: Condensed Matter - Materials Science

Relation: http://arxiv.org/abs/2307.10578

Availability: http://arxiv.org/abs/2307.10578

Authors: Hegner, Franziska S., Cohen, Adi, Rudel, Stefan S., Kronawitter, Silva M., Grumet, Manuel, Zhu, Xiangzhou, Korobko, Roman, Houben, Lothar, Jiang, Chang‐Ming, Schnick, Wolfgang, Kieslich, Gregor, Yaffe, Omer, Sharp, Ian D., Egger, David A.

Superior Title: Advanced Energy Materials; 5/17/2024, Vol. 14 Issue 19, p1-11, 11p

Subject Terms: LATTICE dynamics, VISIBLE spectra, NITRIDES, SEMICONDUCTORS, ENERGY harvesting, DENSITY functional theory

Authors: Caicedo-Dávila, Sebastián, Cohen, Adi, Motti, Silvia G., Isobe, Masahiko, McCall, Kyle M., Grumet, Manuel, Kovalenko, Maksym V., Yaffe, Omer, Herz, Laura M., Fabini, Douglas H., Egger, David A.

Subject Terms: Materials Science cond-mat.mtrl-sci, FOS Physical sciences

Availability: https://doi.org/10.48550/arxiv.2310.03408
https://arxiv.org/abs/2310.03408

Authors: Brenner, Thomas M., Grumet, Manuel, Till, Paul, Asher, Maor, Zeier, Wolfgang G., Egger, David A., Yaffe, Omer

Superior Title: J Phys Chem Lett

Relation: http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9251760/; http://www.ncbi.nlm.nih.gov/pubmed/35731950; http://dx.doi.org/10.1021/acs.jpclett.2c00904

Availability: https://doi.org/10.1021/acs.jpclett.2c00904
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9251760/
http://www.ncbi.nlm.nih.gov/pubmed/35731950

Authors: Grumet, Manuel, Liu, Peitao, Kaltak, Merzuk, Klimeš, Jiří, Kresse, Georg

Subject Terms: Condensed Matter - Materials Science

Relation: http://arxiv.org/abs/1808.07686; Phys. Rev. B 98, 155143 (2018)

Availability: https://doi.org/10.1103/PhysRevB.98.155143
http://arxiv.org/abs/1808.07686

Authors: Hegner, Franziska S., Cohen, Adi, Rudel, Stefan S., Kronawitter, Silva M., Grumet, Manuel, Zhu, Xiangzhou, Korobko, Roman, Houben, Lothar, Jiang, Chang‐Ming, Schnick, Wolfgang, Kieslich, Gregor, Yaffe, Omer, Sharp, Ian D., Egger, David A.

Superior Title: Advanced Energy Materials; 5/17/2024, Vol. 14 Issue 19, p1-1, 1p

Subject Terms: LATTICE dynamics, VISIBLE spectra, SEMICONDUCTORS, NITRIDES, MOLECULAR dynamics, ENERGY harvesting

Authors: Grumet, Manuel

Subject Terms: 33.61 Festkörperphysik, 33.10 Theoretische Physik: Allgemeines, 33.23 Quantenphysik, GW / Green-Funktionen / Hedin-Gleichungen / selbstkonsistente GW-Berechnungen / Raum-Zeit-GW / Bandlücken / Dielektrische Matrix / Padé-Fitting, GW / Green's Functions / Hedin's equations / self-consistent GW calculations / space-time GW / band gaps / dielectric matrix / Padé fitting

File Description: pdf

Relation: Grumet, Manuel (2017) Self-consistent GW calculations for solids. Masterarbeit, Universität Wien. Fakultät für Physik BetreuerIn: Kresse, Georg

Availability: http://othes.univie.ac.at/49110/

Authors: Hegner, Franziska S.^1,2 (AUTHOR), Cohen, Adi³ (AUTHOR), Rudel, Stefan S.⁴ (AUTHOR), Kronawitter, Silva M.⁵ (AUTHOR), Grumet, Manuel¹ (AUTHOR), Zhu, Xiangzhou¹ (AUTHOR), Korobko, Roman³ (AUTHOR), Houben, Lothar⁶ (AUTHOR), Jiang, Chang‐Ming^1,2 (AUTHOR), Schnick, Wolfgang⁴ (AUTHOR), Kieslich, Gregor⁵ (AUTHOR), Yaffe, Omer³ (AUTHOR) omer.yaffe@weizmann.ac.il, Sharp, Ian D.^1,2 (AUTHOR) sharp@wsi.tum.de, Egger, David A.¹ (AUTHOR) david.egger@tum.de

Superior Title: Advanced Energy Materials. 5/17/2024, Vol. 14 Issue 19, p1-11. 11p.

Subject Terms: *LATTICE dynamics, *VISIBLE spectra, *NITRIDES, *SEMICONDUCTORS, *ENERGY harvesting, *DENSITY functional theory