George Baffour Pipim

I'm a

“What we observe is not nature itself, but nature exposed to our method of questioning.” — Werner Heisenberg

About

I am a computational chemist working at the intersection of quantum chemistry, excited-state dynamics, and spectroscopic simulations. My research applies DFT/TD-DFT, CC/EOM-CC, AIMD, and relativistic methods to problems in catalysis, photophysics, drug designand electrospray propulsion. I develop and validate theoretical models that reproduce experimental observables—including XAS/XCD and UV–Vis spectra—and use these insights to guide molecular design for CO2 photoreduction, OLED emitters, and biomolecles. I have authored 18 peer-reviewed publications and received multiple fellowships and awards. My work is highly collaborative, often bridging theory and experiment, and I am proficient in Q-CHEM, CFOUR, ORCA, Gaussian, and Python-based scientific workflows. I also hold certification in molecular modeling for drug discovery, with experience in Free Energy Perturbation methods. Outside the lab, I’m interested in philosophy, spending time in nature, and cars. These interests shape how I think about structure, perspective, and design—both in science and beyond.

Theoretical & Computational Chemist.

PhD Candidate in Chemistry at the University of Southern California.

  • Affiliation : University of Southern California (USC)
  • Affiliation : Nesvard Institute of Molecular Sciences
  • Affiliation : International Younger Chemists Network (IYCN)
  • Affiliation : American Chemical Society (ACS)
  • Affiliation : Ghana Chemical Society (GCS)
  • Affiliation : National Organization for the Professional Development of Black Chemists and Chemical Engineers (NOBCChE)
  • City: Los Angeles, USA
  • Expected Degree: PhD in Chemistry (May 2026)
  • Work: Available

Publications peer-reviewed publications

Research Projects Current research projects

Citations Papers citation count

Skills

Selected Technical Expertise

Methods

Core

Coupled Cluster Density Functional Theory (DFT) Molecular Dynamics Non-adiabatic MD

Working

Free Energy Perturbation Molecular Docking
Programming & ML

Core

Python NumPy SciPy Pandas Matplotlib

Working

PyTorch scikit-learn RDKit Linux Bash Jupyter SLURM
Scientific Software

Core

Q-CHEM Schrödinger Software Suite Gaussian ORCA

Working

GaussView Spartan JMOL IQmol Discovery Studio

Resume

Sumary

George Baffour Pipim

PhD researcher with expertise in quantum chemistry for modeling dynamics and spectroscopic signatures of functional molecular systems.

  • University Park, Los Angeles, California
  • baffourp@usc.edu

Education

Doctor of Philosophy in Chemistry

2021 - 2026

University of Southern California, Los Angeles, California

Advisor: Prof. Anna I. Krylov

Master of Arts in Chemistry

2021 - 2024

University of Southern California, Los Angeles, California

Advisor: Prof. Anna I. Krylov

Bachelor of Science in Chemistry (First Class Honor)

2016 - 2020

Kwame Nkrumah University of Science and Technology, Kumasi, Ghana

Advisor: Prof. Richard Tia & Prof. Evans Adei

Thesis title: Quantum Mechanical Studies on the Mechanisms of Selected 1,3-Dipolar Cycloaddition Reactions for the Formation of Synthetically- and Pharmaceutically Relevant Precursors

Full CV

Research

Selected research projects.

  • All
  • Catalysis
  • Propellants
  • Materials
  • Drug Scaffolds
  • Methods

Interests

Energy Technologies

I am interested in molecular and materials-level processes that support next-generation energy technologies, with emphasis on efficiency, scalability, and real-world deployment

Drug Design and Discovery

I am interested in structure-based drug design and molecular modeling approaches that support lead identification, optimization, and pharmaceutical R & D pipelines

Space System and Propulsion

My interests include the science and engineering behind spacecraft propulsion and charged-particle systems, particularly technologies relevant to electrospray thrusters

Light-Enabled Technologies

I am interested in photochemical and light-driven processes that underpin technologies such as sensing, energy conversion, and advanced functional materials

Method Development

I am interested in developing and applying quantum chemical methods to improve accuracy, efficiency, and applicability of simulations for complex, real-world molecular systems

Reaction Mechanism and Catalysis

I am interested in understanding reaction mechanisms at the molecular level to enable rational catalyst design, improve reaction efficiency, and guide optimization in energy, chemical, and pharmaceutical applications

News

Ab initio simulations of EMI-BF4 ionic liquid dynamics for electrospray propulsion.

New Publication

Journal of Chemical Physics
12/14/2025

New publication: Collision-Induced Fragmentation of the EMI-BF4 Propellant in Electrospray Thrusters: ab initio Molecular Dynamics Simulations.

New Publication

Journal of Chemical Physics
04/28/2026

Oral presentation titled "Single electron reduction of CO2" at the NOBCChE’s 52nd Annual Meeting, Hilton Hotel in Atlanta, Georgia.

Conference

Oral Presentation
09/24/2025

Photophysical properties of functionalized terphenyls and implications to photoredox catalysis.

New Publication

Pure and Applied Chemistry Journal
09/10/2025

Deploying Novel Computational Toolkit to Design Catalysts for Single-electron Reduction of CO2.

Conference

Poster Presentation ,
08/12/2025

Contact

Have an idea, opportunity, or shared interest you’d like to talk about? Send me a message — I’m always happy to connect and exchange ideas.

Address

University Park, Los Angeles, California 90007

Email Us

baffourp@usc.edu

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