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The main focus of our work is the relationship between the geometrical structure and the properties of a material (solid, liquid, molecule, cluster, ...). For around 40 years the theoretical basis has been the density functional (DF) theory.
Density functional theory and its applications:
Structure and structural phase transitions in amorphous and liquid materials, particularly crystallization in phase change materials.
Structure and properties of elements (clusters and different condensed phases, including liquids).
The main focus of our work is the relationship between the geometrical structure and the properties of a material (solid, liquid, molecule, cluster, ...). For around 40 years the theoretical basis has been the density functional (DF) theory.
Density functional theory and its applications:
Structure and structural phase transitions in amorphous and liquid materials, particularly crystallization in phase change materials.
Structure and properties of elements (clusters and different condensed phases, including liquids).
研究兴趣
论文共 219 篇作者统计合作学者相似作者
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Advanced materialsno. 30 (2023)
Andrew M. Teale,Trygve Helgaker,Andreas Savin,Carlo Adamo,Balint Aradi,Alexei Arbuznikov,Paul W. Ayers,Evert Jan Baerends,Vincenzo Barone,Patrizia Calaminici,Eric Cances,Emily A. Carter,Pratim Kumar Chattaraj,Henry Chermette,Ilaria Ciofini,T. Daniel Crawford,Frank De Proft,John F. Dobson,Claudia Draxl,Thomas Frauenheim,Emmanuel Fromager,Patricio Fuentealba,Laura Gagliardi,Giulia Galli,Jiali Gao,Paul Geerlings,Nikitas Gidopoulos,Peter M. W. Gill,Paola Gori-Giorgi,Andreas Gorling,Tim Gould,Stefan Grimme,Oleg Gritsenko,Hans Jorgen Aagaard Jensen,Erin R. Johnson,Robert O. Jones,Martin Kaupp,Andreas M. Koster,Leeor Kronik,Anna Krylov,Simen Kvaal,Andre Laestadius,Mel Levy,Mathieu Lewin,Shubin Liu,Pierre-Francois Loos,Neepa T. Maitra,Frank Neese,John P. Perdew,Katarzyna Pernal,Pascal Pernot,Piotr Piecuch,Elisa Rebolini,Lucia Reining,Pina Romaniello,Adrienn Ruzsinszky,Dennis R. Salahub,Matthias Scheffler,Peter Schwerdtfeger,Viktor N. Staroverov,Jianwei Sun,Erik Tellgren,David J. Tozer,Samuel B. Trickey,Carsten A. Ullrich,Alberto Vela,Giovanni Vignale,Tomasz A. Wesolowski,Xin Xu,Weitao Yang
Physical Review Materialsno. 3 (2022)
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作者统计
#Papers: 219
#Citation: 18715
H-Index: 63
G-Index: 135
Sociability: 6
Diversity: 3
Activity: 12
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