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One of the most powerful principles of modern chemistry is that complex macroscopic transformations can always be broken down into individual microscopic steps that determine the overall efficiency of the process. Thus, for example, the intricate dynamics of photosynthetic light harvesting complexes, light emitting diodes and molecular electrical conductors are commonly composed of only a few fundamental steps: charge separation/recombination, energy transfer and excited state bond-making. In order to obtain vital insight into these electronic processes, one must extend the powerful techniques of electronic structure theory into the relatively uncharted waters of electron dynamics . Our group is answering this challenge by developing new methods – primarily based on density functional theory (DFT) – that provide an accurate description of excited electron motion in molecular systems.
Research Interests
Papers共 311 篇Author StatisticsCo-AuthorSimilar Experts
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Mihael Erakovic,Freek Witteveen, Dylan Harley,Jakob Günther,Moritz Bensberg,Oinam Romesh Meitei, Minsik Cho,Troy Van Voorhis,Markus Reiher,Matthias Christandl
PRX Lifeno. 1 (2025)
Narumi Nagaya, Alexandra Alexiu,Collin F. Perkinson, Oliver M. Nix,Moungi G. Bawendi,William A. Tisdale,Troy Van Voorhis,Marc A. Baldo
Advanced Materials (2024)
Journal of chemical theory and computationno. 24 (2024): 10912-10921
Narumi Nagaya,Kangmin Lee,Collin F. Perkinson, Aaron Li,Youri Lee,Xinjue Zhong, Sujin Lee, Leah P. Weisburn,Tomi K. Baikie,Moungi G. Bawendi,Troy Van Voorhis,William A. Tisdale,Antoine Kahn,Kwanyong Seo,Marc A. Baldo
arxiv(2024)
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Nano Lettersno. 24 (2024): 7227-7235
Tarini S. Hardikar, Kenneth Heitritter, James Brown, Ruhee D'Cunha,Abhishek Mitra, Shaun Weatherly, Yuan Liu, Matthew Otten,Troy Van Voorhis,Laura Gagliardi, Kanav Setia
2024 IEEE International Conference on Quantum Computing and Engineering (QCE) (2024): 538-544
Inkoo Kim,Daun Jeong, Leah P. Weisburn, Alexandra Alexiu,Troy Van Voorhis,Young Min Rhee,Won-Joon Son,Hyung-Jin Kim,Jinkyu Yim,Sungmin Kim,Yeonchoo Cho,Inkook Jang, Seungmin Lee,Dae Sin Kim
JOURNAL OF CHEMICAL THEORY AND COMPUTATIONno. 20 (2024): 9018-9031
arxiv(2024)
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Author Statistics
#Papers: 306
#Citation: 20754
H-Index: 68
G-Index: 142
Sociability: 7
Diversity: 3
Activity: 13
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