.. _Former group members:

Former group members 
=======================


Yongbin Kim
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      :alt: Yongbin Kim
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| 
| **Research questions:** Exciton interactions in photosynthetic proteins, Flexible EFP
| **Contact info:** `linkedin <https://www.linkedin.com/in/yongbin-kim-7618a7103>`_ 

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Claudia Viquez Rojas
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| 
| **Research questions:** Exchange-repulsion in EFP, Vibronic interactions in chromophores
| **Contact info:** `linkedin <https://www.linkedin.com/in/claudia-i-viquez-rojas>`_ 

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Terri (Yen) Bui
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| 
| **Research questions:** EFP for biological molecules, Steered molecular dynamics
| **Contact info:** `linkedin <https://www.linkedin.com/in/yhbui>`_ 

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Danil Kaliakin
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| 
| **Research questions:** FMO2 : Fenna-Matthews-Olson protein X Fragment Molecular Orbital method 
| **Contact info:** `linkedin <https://www.linkedin.com/in/danil-kaliakin-ph-d>`_ 

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Jia Lin Cheoh
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      :alt: Jia Lin Cheoh
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| 
| **Research questions:** Computational science, machine learning, deep learning and algorithms
| **Contact info:** `linkedin <https://www.linkedin.com/in/jialincheoh>`_ 

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Ryan Thomas DeRue
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| 
| **Research questions:** Simulation of phase diagram of methane clathrates, Development of iSpiEFP 
| **Contact info:** `linkedin <https://www.linkedin.com/in/ryan-derue>`_ 

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Ben Nebgen
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      :alt: Ben Nebgen
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| 
| **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 <https://lanlexperts.elsevierpure.com/en/persons/benjamin-tyler-nebgen>`_ 

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Pradeep Kumar Gurunathan
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      :alt: Pradeep Kumar Gurunathan
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| 
| **Research questions:** BioEFP development 
| **Contact info:** `linkedin <https://www.linkedin.com/in/pradeepgurunathan>`_ 

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Carlos Borca
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      :alt: Carlos Borca
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| 
| **Research questions:** DFT for inter-molecular interactions, EFP MD, Applications in atmospheric chemistry, Solubility and crystallization of polymers  
| **Contact info:** `website <https://carlosborca.com/index.html>`_ 

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Ilya Kaliman
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| 
| **Research questions:** development of QM/EFP methods, development of EFP library
| **Contact info:** 

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Dmytro Kosenkov
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      :alt: Dmytro Kosenkov
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| 
| **Research questions:** Solvent effects on electronic transitions in organic chromophores; development of QM/EFP methods; energy transfer in photosynthetic proteins
| **Contact info:** `linkedin <https://www.linkedin.com/in/kosenkov>`_

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Mike Hands
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| 
| **Research questions:** Investigation of non-covalent interactions with EFP
| **Contact info:** `research gate link <https://www.researchgate.net/profile/Michael-Hands>`_

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Frank Lee Emmert III
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      :alt: Frank Lee Emmert
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| 
| **Research questions:** Electronic structure of the flexible bichromophore, diphenylmethane; electronic structure of substituted cyclo-butadienes
| **Contact info:** `linkedin <https://www.linkedin.com/in/frankemmert>`_

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Levi M. Haupert
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      :alt: Levi Haupert
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| 
| **Research questions:** Ammonia-oxygen exciplex; development of flexible EFP Fragments
| **Contact info:** `linkedin <https://www.linkedin.com/in/levi-haupert-38894b3b>`_

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Hanjing Xu
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      :alt: Hanjing Xu
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| 
| **Research questions:** Deployment of libefp at NanoHUB; Machine learning; Developement of iSpiEFP
| **Contact info:** `linkedin <https://www.linkedin.com/in/hanjing-xu-097615b6>`_

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Jen Werner
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| 
| **Research questions:** Cation-pi interactions
| **Contact info:** 

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Brian Kiel
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| 
| **Research questions:** LibEFP tutorial
| **Contact info:** `linkedin <https://www.linkedin.com/in/brian-kiel-597789b1>`_

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SungMin Hong
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      :alt: SungMin Hong
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| 
| **Research questions:** Electronic structure and vibronic couplings in di- and tri-chromophores; Excited state proton transfer
| **Contact info:** `linkedin <https://www.linkedin.com/in/sungmin-hong-aa07a8212>`_

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Joanna C. Flick
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| 
| **Research questions:** EFP fragment recognition and identification; visualization of EFP inputs and outputs with WebMO
| **Contact info:** 

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Stephanie Thompson
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| 
| **Research questions:** Electronic structure and singlet-triplet energy splittings in ethynyl cyclobutadiene
| **Contact info:** 

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.. _visitors: 

Visitors
==========


Nikita Dubinets
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      :alt: Nikita Dubinetz
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| 
| **Research questions:** Solvatochromic shifts in bioorganic chromophores, Flexible EFP  
| **Contact info:** `Colab website <https://colab.ws/researchers/R-382EE-0CF4B-HP68U>`_ 

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Dmitri Morozov
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| 
| **Research questions:** Photoactive proteins; GROMACS development  
| **Contact info:** `website <https://www.jyu.fi/en/people/dmitry-morozov>`_, `linkedin <https://www.linkedin.com/in/dmitry-morozov-528629153?originalSubdomain=fi>`_

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