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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.
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Papers共 304 篇Author StatisticsCo-AuthorSimilar Experts
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Nano Lettersno. 24 (2024): 7227-7235
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
PHYSICAL CHEMISTRY CHEMICAL PHYSICSno. 42 (2024): 26734-26747
arxiv(2024)
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NATURE COMMUNICATIONSno. 1 (2024)
The Journal of Physical Chemistry Ano. 33 (2024): 6989-6998
Oinam Romesh Meitei,Troy Van Voorhis
The journal of physical chemistry lettersno. 48 (2024): 11992-12000
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Author Statistics
#Papers: 303
#Citation: 21171
H-Index: 69
G-Index: 143
Sociability: 7
Diversity: 3
Activity: 97
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