TitleDeputy Group Leader, Non-Equilibrium Theory
Novel approaches to semi-empirical quantum simulations and reactive force fields, including the following application areas
- Astrobiological synthesis of life-building compounds under extreme thermodynamic conditions
- Modeling of laser-driven dynamic compression experiments related to high pressure-temperature materials properties
- Corrosion on metal and metal-oxides due to atmospheric gases
- Aging and degradation of polymeric materials
Ph.D., Physical Chemistry, University of California at Berkeley, 2003
B.S., Chemistry, Yale University, 1997
- L. S. R. Cavalcante, N. Goldman, and A. J. Moulé, "Davis Computational Spectroscopy workflow - from structure to spectra," J. Chem. Inf. Model., 61, 4486?4496 (2021).
- Verena Kristin Gupta, Bálint Aradi, Kyoung Kweon, Nathan Keilbart, Nir Goldman, Thomas Frauenheim, and Jolla Kullgren, "Using DFTB to Model Photocatalytic Anatase-Rutile TiO2 Nanocrystalline Interfaces and their Band Alignment," J. Chem. Theory Comput., 17, 5239-5247 (2021).
- N. Goldman, K. E. Kweon, B. Sadigh, T. W. Heo, R. K. Lindsey, C. H. Pham, L. E. Fried, B. Aradi, K. Holliday, J. R. Jeffries, and B. C. Wood, "Semi-Automated Creation of Density Functional Tight Binding Models Through Leveraging Chebyshev Polynomial-based Force Fields," J. Chem. Theory Comput., 17, 4435-4448 (2021).
- R. K. Lindsey, S. Bastea, N. Goldman, and L. E. Fried, "Investigating 3,4-bis(3-nitrofurazan-4-yl)furoxan Detonation with a Rapidly Tuned Density Functional Tight Binding Model," J. Chem. Phys., 154, 164115 (2021).
- H. Radousky, M. Armstrong, and N. Goldman, "Time Resolved X-ray Diffraction in Shock Compressed Systems," J. Appl. Phys., 129, 040901 (2021).
- Matthew P. Kroonblawd, N. Goldman, A. Maiti, and James P. Lewicki, "A quantum-based approach to predict primary radiation damage in polymeric networks," J. Chem. Theory Comput., 17, 463?473 (2021).
- C. H. Pham, R. K. Lindsey, L. E. Fried, and N. Goldman, "Calculation of the Detonation State of HN3 with Quantum Accuracy," J. Chem. Phys., 153, 224102 (2020).
- R. K. Lindsey, L. E. Fried, N. Goldman, and S. Bastea, "Actively Learning Robust, High-Complexity Reactive Force Field Models," J. Chem. Phys., 153, 134117 (2020).
- R. G. Mullen and N. Goldman, "Quantum Accurate Spin-Lattice Models for Plutonium Hydriding," J. Phys. Chem. C, 124, 20881?20888 (2020).
- Brad A. Steele, Nir Goldman, I-Feng W. Kuo, and Matthew P. Kroonblawd, "Mechanochemical Synthesis of Glycine Oligomers in a Virtual Rotational Diamond Anvil Cell," Chem. Sci., 11, 7760–7771 (2020).
- R. K. Lindsey, N. Goldman, L. E. Fried, and S. Bastea, "Development of a Transferable Reactive Many-Body Force-Field for C/O Containing Systems under Reactive Conditions," J. Chem. Phys., 153, 054103 (2020).
- V. Dantanarayana, T. Nematiaram, D. Vong, J. Anthony, A. Troisi, K. Nguyen-Cong, N. Goldman, R. Faller, and A. Moulé, "Predictive model of charge carrier mobilities in organic semiconductor small molecules with force-matched potentials," J. Chem. Theory Comput., 16, 3494-3503 (2020).
- Michael R. Armstrong, Rebecca K. Lindsey, Nir Goldman, Michael H. Nielsen, Elissaios Stavrou, Laurence E. Fried, Joseph M. Zaug, and Sorin Bastea, "Ultrafast shock synthesis of nanocarbon from a liquid precursor," Nature Communications, 11, 353 (2020).
- M. P. Kroonblawd, L. E. Lindsey, and N. Goldman, "Synthesis of Functionalized Nitrogen-containing Polycyclic Aromatic Hydrocarbons and other Prebiotic Compounds in Impacting Glycine Solutions," Chemical Science, 6091-6098, 10 (2019). (back cover)
- 2018 Fellow of the American Physical Society
- 2018 Physical and Life Sciences Directorate Award, For Excellence in Postdoctoral Mentoring
- 2013 Physical and Life Sciences Directorate Award, For Excellence in Publication, "Prebiotic Chemistry Within a Simple Impacting Icy Mixture", Journal of Physical Chemistry A, 117, 5124 (2013)
- 2011 Physical and Life Sciences Directorate Award, For Excellence in Publication, "Synthesis of Glycine-Containing Complexes in Impacts of Comets on Early Earth", Nature Chemistry, 1, 57 (2010)
- 2009 Physical and Life Sciences Directorate Award, For Excellence in Publication, "Catalytic Behavior of Dense Hot Water", Nature Chemistry, 1, 57 (2009)
- 2009 Physical and Life Sciences Directorate Award, citation: "For contributions to understanding TATB reactions and conducting State-of-the-art first principles simulations"
- 2009 Chemical Sciences Division SPOT Award, For Excellence in Publication, "Nitrogen-Rich Heterocycles as Reactivity Retardants in Shocked Insensitive Explosives", J. Am. Chem. Soc., 131, 5483 (2009)
- 2005 Harold C. Graboske Award for Excellence in Postdoctoral Research, Chemistry and Material Science Directorate, LLNL
- 2004 Outstanding Poster Presentation, Chemistry and Material Science Postdoc Symposium, LLNL, title: "Simulations of Water under the Extreme Conditions of Planetary Interiors"