Post-Docs
Nuno Almeida
Email: almeidan@msu.edu
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Biography
Research has been my main focus in the past ten years of my career. I started by writing my BSc and MSc research theses, one in Portugal and another one in Poland. In 2011, I got awarded a PhD scholarship in Edinburgh, Scotland by the ERC (European research council). In the course of my PhD, I have acquired a variety of scientific skills that have allowed me to have a very broad and critical thinking being able to solve problems in a rational way. I wrote my thesis on: “Challenging systems for quantum chemistry: inorganic excited states and intermolecular aggregates”. After my PhD, I moved to the United States to pursue a Post-Doctoral position at Auburn University under the supervision of Professor Evangelos Miliordos. My research focused on transition metal chemistry and multi-reference approaches to challenging systems. I am now at Michigan State working as a Research Associate in Professor Angela Wilson's group. I will be working on drug design, docking, and protein modelling projects using cutting edge technology and resources.
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Software/Skills
- Gaussian
- Dalton/Molpro
- Amber
- Python
Research interests
- Quantum mechanics (excited state calculations)
- Molecular dynamic (drug design, docking)
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Bradley Welch
Email: welchbr2@msu.edu
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Biography
Bradley graduated from Missouri University of Science and Technology (MST) with a PhD in Computational Chemistry. He was advised by Dr. Richard Dawes and worked on automating thermochemical protocols as well as accurate thermochemistry for the alkyl peroxy family of molecules. He obtained an SCGSR Fellowship in 2018 and worked at Argonne National Laboratories under Dr's Branko Ruscic and David Bross furthering the automated protocols for thermochemistry. He joined the Wilson group in June 2019. He presently is working on highly accurate thermochemistry for d-block and lanthanide species as well as modifying previous thermochemical scripts to handle the challenges of transition metal and lanthanide electronic structure.
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Software/Skills
Research interests
- Thermochemistry
- Automating thermochemical protocols
- Highly accurate computational thermochemistry
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Cong Wang
Email: wangcon9@msu.edu
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Biography
In process ...
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Software/Skills
Research interests
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Sasha North
Email: Sasha.North@unt.edu
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Biography
Sasha received her PhD in 2016 from Michigan State University, where she worked in the research group of Dr. Kathy Hunt. Her research interests in chemistry/chemical physics have been fundamentally concerned with the use of traditional ab initio computational quantum methods, particularly applied to electronic structure problems. Specifically, she performed calculations on the O2 -O2 collisional complex, which is important for obtaining a complete absorption profile for chemical species in the Earth's atmosphere. In the Wilson and Cundari research groups, she is working on relativistic calculations involving the inner transition metals, as well as applying multireference methods to inorganic molecules involved in catalysis.
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Software/Skills
- Gaussian
- Dalton/Molpro
- Amber
- Python
Research interests
- Quantum mechanics (excited state calculations)
- Molecular dynamic (drug design, docking)
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Graduate Students
Lucas Aebersold
Email: aeberso2@msu.edu
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Biography
Lucas graduated from the University of Michigan-Flint in 2015 with a B.S. in Biochemistry and a Mathematics minor. In his undergraduate research he worked with Dr. Jie Song on modeling cellulose pyrolysis pathways using ONIOM approaches. He came to MSU in 2015 and joined the Wilson group toward the end of the year. Here, he is working on electronic structure methods to predict thermochemical properties of heavy elements. In addition, he is helping Inga Ulusoy code our Multiconfiguration Electron-Nuclear Dynamics (MCEND) method.
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Software/Skills
- NWChem
- Psi4/DIRAC
- Molpro/Gamess
- Python/Fortran/Bash
- Latex
Research interests
- Nuclear Electron Dynamics
- Relativistic effects
- Lanthanide/actinide chemistry
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Yigitcan Eken
Email: ekenyigi@msu.edu
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Biography
Yiğitcan graduated from the Boğaziçi University at Istanbul in 2016 with a double major in Chemistry and Molecular Biology and Genetics. In his undergraduate research he worked with Dr. Viktorya Aviyente investigating organoboron polymers and topotecan inhibition of DNA polymerase. Yiğitcan joined the Wilson group in the fall of 2016 and he is studying Ca2+ binding mechanism in multiple isoforms of protein kinase C as well as performing drug design and bioinformatics study in collaboration with Reata Pharmaceuticals and the Huang group at MSU. Yiğitcan enjoys photography, mixology and running in his free time.
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Software/Skills
- AMBER
- GROMACS
- Molecular Operating Environment (MOE)
- Python
Research interests
- Molecular Dynamics
- Molecular Drug Design
- Bioinformatics
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David Kuntz
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Biography
In process
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Software/Skills
Research interests
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Timothé Melin
Email: melintim@msu.edu
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Biography
Timothé graduated from the University of Bordeaux in 2015 with a major in Chemistry. Then he did a master in theoretical chemistry at the University of Toulouse. During his undergrad he worked with Dr. Cédric Crespos on the investigation of Polanyi surfaces. For his masters he worked with Dr. Trond Saue on the development of a multipolar method for X-ray spectroscopy. Timothé joined the group in fall 2017 and working on development of the relativistic pseudopotential correlation consistent composite approach (rp-ccCA) for the 5d elements. He is also working on lanthanide chemistry as well as PFAS molecules. In addition, he is also helping to code the time-dependent configuration interaction (TDCI) method.
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Software/Skills
- NWChem
- DIRAC
- Molpro/Gamess
- Python/Bash/Fortran
- Latex
Research interests
- Heavy elements (5d/lanthanide)
- Relativity in chemistry
- Time dependent configuration interaction
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Hailey Reed
Email: reedhail@msu.edu
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Biography
Hailey graduated from the University of Mississippi in 2018 with a B.S in Forensic Chemistry and an Intelligence and Security Studies minor. As an undergraduate she worked for Dr. Gregory Tschumper researching methods of explosive detection specifically the interaction of various explosive molecules with silver. She joined the Wilson group in fall of 2018 and is currently working on optimizing the absorption of CO2 using amino acid salt solutions through Monte Carlo simulations
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Software/Skills
- RASPA
- Gaussian
- MatLab
- Python
- Molden
Research interests
- Biochemistry
- Nuclear chemistry
- Explosive materials
- Forensic Chemistry
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Semiha Bali
Email: balisem1@msu.edu
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Biography
Semiha graduated from Boğaziçi University at Istanbul in 2015 with a B.S. in Molecular Biology and Genetics. She obtained her M.S. in Chemistry in 2018 from the same university, and for her thesis she worked with Prof. Viktorya Aviyente (Boğaziçi University, Turkey) on the interactions of Topotecan and Indenoisoquinolines with Topoisomerase enzyme. In addition, she was involved in various other projects including the modeling iron release mechanism form Transferrin protein as well as modeling Diels-Alder type of reactions. She also worked with Prof. Mounir Tarek (CNRS, France) on amyloid precursor proteins and investigated their aggregation mechanism in membrane. Semiha joined the Wilson group in 2019 and is currently working on modeling of drug molecules.
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Software/Skills
- AMBER
- GROMACS
- Gaussian
- Python
Research interests
- Molecular Modeling
- Computational Drug Development
- Protein Modeling
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Guangyao Gao
Email: gaoguan1@msu.edu
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Biography
Guangyao graduated from Saint John's University at Collegeville Minnesota in 2018 with a B.S. in chemistry. After his graduation, Guangyao was hired by the department of chemistry at CSB/SJU as a stockroom fellow. For his undergraduate time period, he worked with Dr. Chris Schaller on Ring-Opening Polymerization of Lactide. Guangyao joined the Wilson group in 2019 and he is currently getting familiar with Gaussian and working on heterogeneous catalysis.
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Software/Skills
Research interests
- Physical chemistry
- Catalysis
- Electrochemistry
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Undergrad Students
Zach Stewart
Email: stewa668@msu.edu
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Biography
In Process ...
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Software/Skills
Research interests
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Terrance Duncan
Email: duncant5@msu.edu
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Biography
In process ...
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Software/Skills
Research interests
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Thanh Lai
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Biography
In process
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Software/Skills
Research interests
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Betoul Ali
Email: alibetou@msu.edu
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Biography
In process ...
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Software/Skills
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Ryan Mclean
Email: mcleanr3@msu.edu
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Biography
Ryan is currently an undergraduate working on his B.S. in Chemistry and Computer Science. During the 2019 summer, he worked with Dr. Raoul Kopelman to study the spectroscopic properties of gold nanoparticles, sparking his interest in theoretical chemistry. Ryan joined the Wilson group in Fall 2019 where he investigates heavy element chemistry.
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Software/Skills
Research interests
- Heavy elements chemistry
- Relativity in chemistry
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Preston
Email: balisem1@msu.edu
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Biography
In Process ...
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Software/Skills
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