HELLO, MY NAME IS

Carlos de Moura, Ph.D.

Quantum Chemist

contact@carlosevmoura.org
github.com/carlosevmoura
linkedin.com/in/carlosevmoura
About Me

I am a postdoctoral researcher in quantum chemistry focused on molecular excited states.

I develop methods to simulate photochemical and spectroscopic processes

I bring years of experience in method development and applications in Quantum Chemistry. Through my research work in computational chemistry, I have developed a diverse range of skills in areas such as scientific programming and data analysis. I’ve applied these skills to a variety of projects across different chemistry problems, from fundamental diatomic molecules to real-world optoelectronic polymers.

I believe in collaborating closely with researchers in different fields to develop tailored answers that meet relevant scientific questions. Whether you’re looking to develop new methods for simulating electronic excited states or explore innovative ways to apply quantum technologies, I’m here to help you achieve your goals.

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What I Do

Learn more about my research and scientific contributions

QUANTUM CHEMISTRY

Quantum Mechanics lies at the core of our understanding of the properties and behavior of atoms and molecules, and has the potential to unlock new pathways for the design and development of innovative materials and molecules.

SOFTWARE DEVELOPMENT​

As new questions arise in chemistry field, accurate and efficient methods and applications are required to deepen our understanding of the fundamental nature of matter and energy.

DATA ANALYSIS

Advanced data analysis skills are essential for success in modern chemistry research, including statistical modeling, data visualization, and data interpretation.

Skills

Project Management, including mentorship

Ease learning and adaptive in collaborative environments

Python, C++ and FORTRAN for Scientific Programming

Jupyter and Mathematica for Data Analysis

Shell scripting for automation

Linux Systems and Environments Administration

My Experience

2024-

University of Florida

Postdoctoral Associate

I am implementing a flexible quantum chemistry code to calculate new wavefunctions ansätz for excited states.

2021-2023

The Ohio State University

Postdoctoral Researcher

I developed and implemented an efficient quantum chemistry method to simulate X-ray spectroscopic in multireference molecules.

2018-2019

Aix-Marseille Université

Postdoctoral Researcher

I collaborated with developing a new method to include quantum tunneling effects in on-the-fly molecular dynamics simulations.

2012-2013

Federal University of Rio de Janeiro

Temporary Professor

I was responsible for physical chemistry undergraduate classes, including experimental classes, for chemistry licentiate students.

Code Contributions

Prism

Python-based implementation of electronic structure theories for simulating spectroscopic properties.

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SQA+

Python-based Second Quantization Algebra operations extended automator and code generator.

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isGAMESS

Python-based automation of inner-shell electronic excited states using IS-MCSCF method in GAMESS

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