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Tackling challenges in making manufacturing of chemicals and fuels to have low-carbon emissions and be sustainable
About
Dr. Mark Martirez is a Research Physicist at the Princeton Plasma Physics Laboratory (PPPL) - a U.S. Department of Energy national laboratory managed by Princeton University. He has a background in computational and theoretical chemistry, condensed matter physics, and materials.
Photo credit: Michael Livingston, PPPL
Research
Application of quantum mechanical methods (density functional theory and multiconfigurational correlated wavefunction or post Hartree-Fock theories, e.g., CASSCF, CASPT2, and NEVPT2) to understand and design functional (nano)materials, focusing on materials for sustainable energy conversion technologies and green chemical processing
Through modeling, we wish to understand at the atomic scale the various chemistries that define functionality of materials needed for energy and chemical conversion
Over 40 publications on the topics of surface structure evolution and heterogeneous catalysis and how they may be influenced by light or electricity
Presentations
Presentations
Slides discussing recent research activities within the group presented at scientific conferences
Current Funding
NSF | Non-equilibrium Electrochemical Plasma Catalysis for Distributed Electrified Ammonia Synthesis
NSF | Non-equilibrium Electrochemical Plasma Catalysis for Distributed Electrified Ammonia Synthesis
A collaboration with Princeton University, Rutgers University, and Duke University. The Martirez group receives $900 K grant
2025-2029
DOE-LDRD and DOE-FES | Optical Properties of “Color Centers” in Diamond and cBN via Accurate Quantum Mechanical Theories
DOE-LDRD and DOE-FES | Optical Properties of “Color Centers” in Diamond and cBN via Accurate Quantum Mechanical Theories
The Martirez group received a combined total of $425 K grant from both funding sources + $280 K to continue work into FY27
2025-2027
Applied Materials & Sustainability Sciences at PPPL
Contact information:
Contact information:
Office: LSB 376 / Research Lab: LSB 375
Princeton Plasma Physics Laboratory
100 Stellarator Road, Princeton, New Jersey 08540
email: martirez@pppl.gov / martirez@princeton.edu
phone number: (609)-243-2069 / Mail Stop #38
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