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Research Output 2003 2019

Review article
1 Citation (Scopus)

Recent progress on first-principles simulations of voltammograms

Li, Y. & Janik, M. J., Apr 2019, In : Current Opinion in Electrochemistry. 14, p. 124-132 9 p.

Research output: Contribution to journalReview article

Hydroxyl Radical
Negative ions
139 Citations (Scopus)

Beyond fossil fuel–driven nitrogen transformations

Chen, J. G., Crooks, R. M., Seefeldt, L. C., Bren, K. L., Morris Bullock, R., Darensbourg, M. Y., Holland, P. L., Hoffman, B., Janik, M. J., Jones, A. K., Kanatzidis, M. G., King, P., Lancaster, K. M., Lymar, S. V., Pfromm, P., Schneider, W. F. & Schrock, R. R., May 25 2018, In : Science. 360, 6391, eaar6611.

Research output: Contribution to journalReview article

Fossil Fuels
Nitrogen Cycle
Nitric Acid
365 Citations (Scopus)

The ReaxFF reactive force-field: Development, applications and future directions

Senftle, T. P., Hong, S., Islam, M. M., Kylasa, S. B., Zheng, Y., Shin, Y. K., Junkermeier, C., Engel-Herbert, R., Janik, M. J., Aktulga, H. M., Verstraelen, T., Grama, A. & Van Duin, A. C. T., Mar 4 2016, In : npj Computational Materials. 2, 15011.

Research output: Contribution to journalReview article

Quantum theory
Force Field
Interatomic Potential
Quantum Mechanics
Materials properties
14 Citations (Scopus)

Challenges in the use of density functional theory to examine catalysis by M-doped ceria surfaces

Krcha, M. D. & Janik, M. J., Jan 5 2014, In : International Journal of Quantum Chemistry. 114, 1, p. 8-13 6 p.

Research output: Contribution to journalReview article

Cerium compounds
Density functional theory
density functional theory