Publications

33. R. K. Lindsey*, A. D. Oladipupo, S. Bastea, B. A. Steele, F. W. Kuo, N. Goldman
Hierarchical Transfer Learning: An Agile and Equitable Strategy for Machine-Learning Interatomic Models
ChemRXIV (2024).

32. R. K. Lindsey*, S. Bastea, S. Hamel, Y. Lyu, N. Goldman, V. Lordi
ChIMES Carbon 2.0: A Transferable Machine-Learned Interatomic Model Harnessing Multifidelity Training Data
Accepted: npj Comput. Mater. (2024).

31. F. Bernal, E. J. Riffe, S. W. Devlin, S. Hamel, R. K. Lindsey,  … R. Saykally*.
Response of fs-Laser-Irradiated Diamond by Ultrafast Electron Diffraction
J. Phys. Chem. C 128, 18651–18657 (2024).

30. E.J. Riffe, F. Bernal, C. Kamal, H. Mizuno, R. K. Lindsey,  S. Hamel … R. Saykally*.
Time-Resolved X-ray Emission Spectroscopy and Resonant Inelastic X-ray Scattering Spectroscopy of Laser Irradiated Carbon
J. Chem. Phys. 128, 6422–6433 (2024).

29. A. Soshnikov, R. K. Lindsey,  A. Kulkarni,  N. Goldman*
A Reactive Molecular Dynamics Model for Uranium/Hydrogen Containing Systems
J. Chem. Phys. 160, 094117 (2024).

28. J. Lum*, D. Stobbe, P. Mirkarimi, W. Shaw, H. Reinstein, R. K. Lindsey, R. Gee.
Demonstrating Resonant Ultrasound Spectroscopy as a Viable Technique to Characterize Thermally Conditioned High Explosive Materials
J. Appl. Phys. 135, 035103 (2024).

27. R. K. Lindsey*, S. Hamel, Y. Lyu, N. Goldman, L. E. Fried.
Chemical Evolution in Nitrogen Shocked Beyond the Molecular Stability Limit
J. Chem. Phys. 159, 084502 (2023).

Special Issue: 2023 JCP Emerging Investigators Special Collection

Editor’s Pick

26. N. Goldman*, L. E. Fried, R. K. Lindsey, C. H. Pham, R. Dettori
Enhancing the accuracy of density functional tight binding models through ChIMES many-body interaction potential
J. Chem. Phys. 158, 144112 (2023).

Special Issue: Modern Semiempirical Electronic Structure Methods

25. R. H. Gee, R. K. Lindsey
Revolutionizing Energetic Materials Discovery and Design: The Role of Data Science and Machine Learning,
PEP, 48(4) (2023).

Special Issue: Data Science & Machine Learning

Special Issue Guest Editor

24. A. Khot, R. K. Lindsey, J. Lewicki, A. Maiti, N. Goldman, M. Kroonblawd*
United atom and coarse grained models for crosslinked polydimethylsiloxane with applications to the rheology of silicone fluids
Phys. Chem. Chem. Phys., 25, 9669 (2023). 

23. N. Goldman*, L. Zepeda-Ruiz, R. G. Mullen, R. K. Lindsey, C. H. Pham, L. E. Fried, J. Belof
Estimates of Quantum Tunneling Effects for Hydrogen Diffusion in PuO2
Appl. Sci., 12 11005 (2022). 

Invited Special Issue: Feature Paper Collection in Section Materials

22. M. S. Minkara^*, T. R. Josephson, C. L. Venteicher, B. R. 150Greenvall, R. K. Lindsey, P. H. Koenig, J. I. Siepmann^*
Nonane and Hexanol Adsorption in the Lamellar Phase of a Nonionic Surfactant: Molecular Simulations and Comparison to Ideal Adsorbed Solution Theory
J. Phys. Chem. B, 126 3940 – 3949 (2022). 

21. R. K. Lindsey^*, C. H. Pham, N. Goldman, S. Bastea, L. E. Fried
Machine-Learning a Solution for Reactive Atomistic Simulations of Energetic Materials
Propellants Explos. Pyrotech., 47 e202200001 (2022).  

Invited Special Issue: Molecular Simulation

20. C. H. Pham^*, R. K. Lindsey, L. E. Fried, N. Goldman
High-Accuracy Semiempirical Quantum Models Based on a Minimal Training Set
J. Phys. Chem. Lett., 13 2934 – 2942 (2022). 

19. R. K. Lindsey^*, N. Goldman, L. E. Fried, S. Bastea^*
Chemistry-Mediated Ostwald Ripening in Carbon-Rich C/O Systems at Extreme Conditions
Nat. Commun., 13 1424 (2022). 

18. 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, 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). 

17. R. K. Lindsey^*, S. Bastea, N. Goldman, 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). 

16. C. H. Pham^*, R. K. Lindsey, L. E. Fried, N. Goldman
Calculation of the Detonation State of HN3 with Quantum Accuracy
J. Chem. Phys., 153 224102 (2020). 

15. R. K. Lindsey^*, L. E. Fried, N. Goldman, S. Bastea
Active Learning for Robust, High-Complexity Reactive Atomistic Simulations
J. Chem. Phys., 153 134117 (2020). 

Special Issue: Machine Learning Meets Chemical Physics

14. R. K. Lindsey^*, N. Goldman, L. E. Fried, S. Bastea
Many-body Reactive Force Field Development for Carbon Condensation in C/O Systems Under Extreme Conditions
J. Chem. Phys., 153 054103 (2020). 

13. A. Maiti^*, A. Venkat, G. D. Kosiba, W. L. Shaw, J. D. Sain, R. K. Lindsey, C. D. Grant, P. Bremer, A. G. Gylassy, V. Pascucci, R. H. Gee^*
Topological Analysis of X-ray CT Data for the Recognition and Trending of Subtle Changes in Microstructure Under Material Aging
Comput. Mater. Sci, 182 109782 (2020). 

12. M. R. Armstrong^*, R. K. Lindsey^*, N. Goldman, M. H. Nielsen, E. Stavrou, L. E. Fried, J. M. Zaug, S. Bastea^*
Ultrafast Shock Synthesis of Nanocarbon from a Liquid Precursor
Nat. Commun., 11 353 (2020). 

11. R. K. Lindsey^*, C. H. Pham, L. E. Fried, N. Goldman, S. Bastea
ChIMES: A Machine-Learned Interatomic Model Targeting Improved Description of Condensed Phase Chemistry in Energetic Materials
LLNL Public Technical Report, (2020). 

10. M. P. Kroonblawd^*, R. K. Lindsey, N. Goldman
Synthesis of Nitrogen-containing Polycyclic Aromatic Hydrocarbons in Impacting Glycine Solutions
Chem. Sci., 10 6091 – 6098 (2019). 

9. R. K. Lindsey^*, L. E. Fried, N. Goldman
Application of the ChIMES Force Field to Non-Reactive Molecular Systems: Water at Ambient Conditions
J. Chem. Theory Comput., 15 36 – 447 (2019). 

8. R. K. Lindsey, M. P. Kroonblawd, L. E. Fried, N. Goldman^*
Force Matching Approaches to Extend Density Functional Theory to Large Time and Length Scales
Computational Approaches for Chemistry Under Extreme Conditions, Springer International Publishing: Cham, 71 – 93 (2019). 

7. N. Goldman^*, B. Aradi, R. K. Lindsey, L. E. Fried
Development of a Multi-center Density Functional Tight Binding Model for Plutonium Surface Hydriding
J. Chromatogr. A, 14 2652 – 2660 (2018). 

6. R. K. Lindsey^*, D. R. Stoll, P. W. Carr, J. I. Siepmann
Column Selection for Comprehensive Two-Dimensional Liquid Chromatography using the Hydrophobic Subtraction Model
J. Chromatogr. A, 1589 47 – 55 (2018). 

5. M. S. Minkara, R. K. Lindsey, R. H. Hembree, C. L. Venteicher, S. N. Jamadagni, D. M. Eike, A. F. Ghobadi, P. H. Koenig, J. I. Siepmann^*
Probing Additive Loading in the Lamellar Phase of a Nonionic Surfactant: Gibbs Ensemble Monte Carlo Simulations Using the SDK Force Field
Langmuir, 34 8234 – 8254 (2018). 

4. R. K. Lindsey^*, M. R. Armstrong, E. O. Fetisov, J. M. Zaug, S. Bastea
Toward Understanding Shock-Induced Chemical Reactivity in CO on Picosecond Time Scales
Proceedings of the 16th International Detonation Symposium, (2018).

3. M. P. Kroonblawd^*, N. Goldman, R. K. Lindsey
Developing Accurate Semi-Empirical Quantum Models for CNHO Chemistry at Detonation Conditions
Proceedings of the 16th International Detonation Symposium, (2018). 

2. R. K. Lindsey^*, L. E. Fried, N. Goldman
ChIMES: A Force Matched Potential with Explicit Three-Body Interactions for Molten Carbon
J. Chem. Theory Comput., 13 6222 – 6229 (2017). 

1. R. K. Lindsey, J. L. Rafferty, B. L. Eggimann, J. I. Siepmann^*, M. R. Schure
Molecular Dynamics and Monte Carlo Simulations of Reversed-phase Liquid Chromatography
J. Chromatogr. A, 1287 60 – 82 (2013).