Contact Information

Location: CEM 218, 220, 239, 338
Phone: (517) 353-1115
More Information

Openings

Group Meetings

Summer Lecture Series


UNT
Wilson Group Members

Senior Research Associates



Narasimhan Loganathan

naresh20@msu.edu


Biography

I have 15+ years of experience in investigating the behavior of organic and inorganic contaminants at the interfaces of various materials relevant to various applications. I completed my BSc in Applied Sciences (PSG) and MSc in Applied Chemistry (NIT) in India. I worked as a summer fellow and as a research intern in Indian Institute of Science before moving to France for my doctoral studies. I received my PhD from Aix-Marseille University working on removing uremic toxins from the human body using 3D materials. My postdoctoral research at Laboratoire SUBATECH was focused on modeling silicate minerals relevant to the safe contaminants of radioactive waste. I moved to MSU as a research associate and have been working on geological carbon sequestration and enhanced oil/gas recovery. I am currently working as a senior research associate with a major focus on understanding the fate and transport of organic and inorganic species in geologically relevant interfaces using different molecular modeling techniques.


Software/Skills
  • LAMMPS
  • NAMD
  • Materials Studio
  • VMD
  • GROMACS
  • PLUMED
  • Towhee
  • RASPA
  • Quantum Espresso
Research interests
  • Fate and Transport of Toxic Species
  • Carbon Capture and Sequestration
  • Enhanced Oil//Gas Recovery
Postdoctoral Fellows/Research Associates



Bradley Welch

welchbr2@msu.edu


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.


Software/Skills
  • Molpro
  • CFour
  • MRCC
  • Python
Research interests
  • Thermochemistry
  • Automating thermochemical protocols
  • Highly accurate computational thermochemistry


Nuno Almeida

almeidan@msu.edu


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.


Software/Skills
  • Gaussian
  • Dalton/Molpro
  • Amber
  • Python
Research interests
  • Quantum mechanics (excited state calculations)
  • Molecular dynamic (drug design, docking)


Cong Wang

wangcon9@msu.edu


Biography

In process ...



Jared Weidman

weidma10@msu.edu


Biography

Jared received his B.S. in Biochemistry from Calvin University, where he did research with Roger DeKock on the electronic structure of atoms. He received his Ph.D. in Chemistry from the University of Georgia in 2020. Working in the lab of Henry F. Schaefer, his doctoral research was primarily on the application of high-accuracy quantum chemical methods to map out the energetics and mechanisms of reactions relevant to combustion and atmospheric chemistry. He joined the Wilson group in 2020, where his research is in the area of quantum electron dynamics. In particular, he develops real-time electronic structure methods to simulate the interactions of molecules with electric fields. In 2023, he became the Managing Director of the MSU Center for Quantum Computing, Science, and Engineering (MSU-Q).


Software/Skills
  • Mathematica
  • Python
  • Fortran
  • Bash
  • GAMESS
  • Molpro
  • CFOUR
  • Psi4
Research interests
  • Quantum dynamics
  • Electronic structure theory
  • Quantum computing


Benjamin Peyton

peytonbe@msu.edu


Biography

Ben received his PhD. from Virginia Tech in 2022 in the group of Prof. T. Daniel Crawford.There he specialized in the prediction of field-dependent molecular properties in the frequency and time domains utilizing fragmentation schemes, machine-learning, and real-time electronic structure theory. He has also contributed to the Psi4 open-source quantum chemistry package, as well as to the Psi4Education project. In the Wilson group, his research is focused on implementation and applications of novel time-dependent configuration interaction techniques for transition metal complexes.


Software/Skills
  • Psi4
  • Gaussian
  • GAMESS
  • Python
  • C++
  • Bash, LaTeX, git
  • HTML/PHP
Research interests
  • Molecular Properties
  • High-performance computing
  • Machine-learning


Emily Claveau

claveau1@msu.edu


Biography

Emily completed her Bachelor’s of Science in Chemistry and Chinese Language & Culture at Florida State University in 2014. In 2018 she joined Auburn University to work on her PhD in the group of Evangelos Miliordos. She graduated with her PhD in Computational Chemistry focused on catalyst design for methane to methanol transformation via CH bond activation using transition metal dications in 2023. In August of 2023 she joined the Wilson group as a Research Associate to work on PFAS complexes, heavy metals, and writing grants.


Software/Skills
Research interests
Graduate Students



Semiha Bali

balisem1@msu.edu


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 new tuberculosis drug molecules.


Software/Skills
  • AMBER
  • GROMACS
  • Gaussian
  • Python
Research interests
  • Molecular Modeling
  • Computational Drug Development
  • Protein Modeling


Zach Stewart

stewa668@msu.edu


Biography

Zach has a Bachelor of Science in Chemical Physics and a Minor in Computation for Math, Science, Engineering from Michigan State University. He began working with the Wilson group as an undergraduate and has chosen to continue his work as a graduate student with the group as well. He is currently pursuing a doctorate in Chemical Physics. The focus of his work is primarily related to the development and application of quantum electron dynamics methodologies for molecular systems.


Software/Skills
Research interests


Christina Schumm

schummch@msu.edu


Biography

Christina (Chrissy) Schumm went to Michigan State University for her undergraduate degree, receiving a B.A. in Chemistry and minor in Mathematics. Chrissy spent much of her undergraduate career as an undergraduate TA, working in high schools and middle schools in the area and volunteering for Spartan Young Astronomers Club. She joined Wilson lab in Spring 2021 and has spent her time as a graduate student using Molecular Dynamics (MD) simulations to model the interactions of different Per- and Polyfluoro Alkyl Substances (PFAS) with various soil components. Chrissy has experience teaching general lab and lecture courses, helping to run the MSU Chemistry Department's social media platforms and is a board member for the Chemistry Graduate Student Organization (CGSO).


Software/Skills
  • Python
  • LAMMPS
  • VMD
  • fortran
  • NAMD
  • Materials Studio
Research interests
  • Environmental Chemistry
  • PFAS remediation
  • Molecular Dynamics


Deepak James

jamesdee@msu.edu


Biography

I am from Kerala India. I have completed my bachelor’s degree in chemistry from St. Thomas College, Kerala, India and subsequently pursued my masters degree in chemistry from the central university of Punjab, India. Now, I am a Third Year PhD student, research focuses on the effects of PFAS in biological systems.


Software/Skills
Research interests


thom1653@msu.edu


Biography

Graduated from MSU with a Bachelor’s of Science in Chemistry. Research focus in the area of Biological Molecular Dynamics and Drug Discovery.


Software/Skills
Research interests


Rana Massoud

massoudr@msu.edu


Biography

Rana graduated from Beirut Arab University in Lebanon, 2017 with a BS in Chemistry. She obtained her MS degree in Organic Chemistry in 2022 from the same university. For her MS research studies, working with Prof. Mohammad El-Dakdouki, she experimentally studied the chemical composition and biological (anti-cancer, antibacterial, anti-inflammatory and anti-oxidant) activities of essential oils from different origins. Rana started her PhD at Michigan State University in the fall of 2022, then joined the Wilson group in the spring of 2023, and is currently studying the interactions of PFAS with different proteins through molecular dynamics simulations and computation. She is also a part of several drug discovery and design projects.


Software/Skills
  • Python
  • AMBER
Research interests
  • CADD
  • Protein Modeling


Ebtisam Telb

telbebti@msu.edu


Biography

In process. . .


Software/Skills
Research interests


Shahriyar Dadgar

dadgarmo@msu.edu


Biography

In process. . .


Software/Skills
Research interests
Undergraduate Students



Libby Ashby

ashbyeli@msu.edu


Biography

Libby is from Grand Rapids, MI, and is currently a junior at MSU, majoring in Geological Sciences and Chemistry. She joined the team in September 2021, and studies PFAS in soil environments using Molecular Dynamics simulations.



James Hager

hagerjam@msu.edu


Biography

James is from Battle Creek, Michigan. He is a junior studying computational mathematics and data science and he joined the group last fall. James studies PFAS and clay.



Mary O'Reilly

mko5412@truman.edu


Biography

Mary is from Harrisonville, MO and is currently a junior at Truman State University studying chemistry. She joined the group for the NSF-funded CHemistry REU program during summer 2023 and continues her work remotely. Mary studies the interactions of PFAS with clay minerals using Molecular Dynamics simulations.

High School Students


Ethan Gonzalez

Biography

Ethan is a high school student from Alameda, California who is passionate about chemistry, engineering, and computer science. His work involves the impact of electric fields on PFAS within aqueous environments.