John Mark Pinat Martirez

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56 Article
1 Comment/debate
1 Review article

C–C Bond Formation during Electrochemical CO₂Reduction on Pristine Cu(100) Unlikely to Involve Adsorbed CO at Any Potential
Martirez, J. M. P. & Carter, E. A., Feb 25 2026, In: Journal of the American Chemical Society. 148, 7, p. 7415-7425 11 p.
Research output: Contribution to journal › Article › peer-review

Open Access
Optical properties of a diamond NV color center from capped embedded multiconfigurational correlated wavefunction theory
Martirez, J. M. P., Dec 2026, In: npj Computational Materials. 12, 1, 113.
Research output: Contribution to journal › Article › peer-review

Open Access
Accelerating Embedding Potential Optimization by Reconstructing the Pseudo-Valence Electron Density
Wei, Z., Boyn, J. N., Martirez, J. M. P. & Carter, E. A., Aug 26 2025, In: Journal of Chemical Theory and Computation. 21, 16, p. 7782-7796 15 p.
Research output: Contribution to journal › Article › peer-review
1 Link opens in a new tab Scopus citations
First-Principles Insights into the Thermocatalytic Cracking of Ammonia-Hydrogen Blends on Fe(110). 2. Kinetics
Martirez, J. M. P., Kurdziel, S. & Carter, E. A., Apr 10 2025, In: Journal of Physical Chemistry C. 129, 14, p. 6697-6718 22 p.
Research output: Contribution to journal › Article › peer-review

Open Access
2 Link opens in a new tab Scopus citations
Machine-Learned Force Field for Molecular Dynamics Simulations of Nonequilibrium Ammonia Synthesis on Iron Catalysts
Lele, A. D., Shi, Z., Khetan, S., Carter, E. A., Martirez, J. M. P. & Ju, Y., Mar 13 2025, In: Journal of Physical Chemistry C. 129, 10, p. 4937-4949 13 p.
Research output: Contribution to journal › Article › peer-review

Open Access
5 Link opens in a new tab Scopus citations

John Mark Pinat Martirez

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Collaborations and top research areas from the last five years

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C–C Bond Formation during Electrochemical CO₂Reduction on Pristine Cu(100) Unlikely to Involve Adsorbed CO at Any Potential

Optical properties of a diamond NV color center from capped embedded multiconfigurational correlated wavefunction theory

Accelerating Embedding Potential Optimization by Reconstructing the Pseudo-Valence Electron Density

First-Principles Insights into the Thermocatalytic Cracking of Ammonia-Hydrogen Blends on Fe(110). 2. Kinetics

Machine-Learned Force Field for Molecular Dynamics Simulations of Nonequilibrium Ammonia Synthesis on Iron Catalysts

John Mark Pinat Martirez

Fingerprint

Collaborations and top research areas from the last five years

Research output

C–C Bond Formation during Electrochemical CO2Reduction on Pristine Cu(100) Unlikely to Involve Adsorbed CO at Any Potential

Optical properties of a diamond NV color center from capped embedded multiconfigurational correlated wavefunction theory

Accelerating Embedding Potential Optimization by Reconstructing the Pseudo-Valence Electron Density

First-Principles Insights into the Thermocatalytic Cracking of Ammonia-Hydrogen Blends on Fe(110). 2. Kinetics

Machine-Learned Force Field for Molecular Dynamics Simulations of Nonequilibrium Ammonia Synthesis on Iron Catalysts

C–C Bond Formation during Electrochemical CO₂Reduction on Pristine Cu(100) Unlikely to Involve Adsorbed CO at Any Potential