Former group members
Yongbin Kim
Research questions: Exciton interactions in photosynthetic proteins, Flexible EFP
Contact info: linkedin
Claudia Viquez Rojas
Research questions: Exchange-repulsion in EFP, Vibronic interactions in chromophores
Contact info: linkedin
Terri (Yen) Bui
Danil Kaliakin
Research questions: FMO2 : Fenna-Matthews-Olson protein X Fragment Molecular Orbital method
Contact info: linkedin
Jia Lin Cheoh
Research questions: Computational science, machine learning, deep learning and algorithms
Contact info: linkedin
Ryan Thomas DeRue
Research questions: Simulation of phase diagram of methane clathrates, Development of iSpiEFP
Contact info: linkedin
Ben Nebgen
Research questions: Electronic structure of flexible bi- and tri-chromophores, Vibronic coupling model, Excited state proton transfer, Electronic excited states in aromatic radicals
Contact info: LANL page
Pradeep Kumar Gurunathan
Carlos Borca
Research questions: DFT for inter-molecular interactions, EFP MD, Applications in atmospheric chemistry, Solubility and crystallization of polymers
Contact info: website
Ilya Kaliman
Research questions: development of QM/EFP methods, development of EFP library
Contact info:
Dmytro Kosenkov
Research questions: Solvent effects on electronic transitions in organic chromophores; development of QM/EFP methods; energy transfer in photosynthetic proteins
Contact info: linkedin
Mike Hands
Research questions: Investigation of non-covalent interactions with EFP
Contact info: research gate link
Frank Lee Emmert III
Research questions: Electronic structure of the flexible bichromophore, diphenylmethane; electronic structure of substituted cyclo-butadienes
Contact info: linkedin
Levi M. Haupert
Research questions: Ammonia-oxygen exciplex; development of flexible EFP Fragments
Contact info: linkedin
Hanjing Xu
Research questions: Deployment of libefp at NanoHUB; Machine learning; Developement of iSpiEFP
Contact info: linkedin
Jen Werner
Research questions: Cation-pi interactions
Contact info:
Brian Kiel
SungMin Hong
Research questions: Electronic structure and vibronic couplings in di- and tri-chromophores; Excited state proton transfer
Contact info: linkedin
Joanna C. Flick
Research questions: EFP fragment recognition and identification; visualization of EFP inputs and outputs with WebMO
Contact info:
Stephanie Thompson
Research questions: Electronic structure and singlet-triplet energy splittings in ethynyl cyclobutadiene
Contact info:
Visitors
Nikita Dubinets
Research questions: Solvatochromic shifts in bioorganic chromophores, Flexible EFP
Contact info: Colab website
Dmitri Morozov
