Publications

  1. Sakib Matin, Alice E. A. Allen, Emily Shinkle, Aleksandra Pachalieva, Galen T. Craven, Benjamin Nebgen, Justin S. Smith, Richard Messerly, Ying Wai Li, Sergei Tretiak, Kipton Barros, and Nicholas Lubbers
    "Teacher-student training improves the accuracy and efficiency of machine learning interatomic potentials"
    Digital Discovery 4, 2502 (2025) PDF
  2. R. Chen, G. T. Craven
    "Neuromorphic heat transport effects in a molecular junction"
    J. Chem. Phys. 163, 054115 (2025) PDF
  3. R. Chen, Z. Miller, V. Mehta, T. Gibson, M. Frantoni, A. Levinsky, G. T. Craven
    "Machine learning models for volumetric swelling in uranium nitrides"
    J. Nucl. Mater. 615, 155980 (2025) PDF
  4. G. T. Craven, M. A. Price, S. A. Andrews, K. A. Velizhanin, T. D. Aslam, J. A. Leiding, C. Ticknor
    "AWSD reactive flow model for PBX 9404"
    J. Appl. Phys. 137, 135903 (2025) PDF
  5. G. T. Craven, C. Ticknor
    "AWSD Reactive Burn Model for High Explosive LX-14"
    Propellants, Explosives, Pyrotechnics 50, e12027 (2025) PDF
  6. M. Anjum, T. Gibson, G. T. Craven, S. Tretiak, A. Abdelkefi
    "Multiphysics analysis of mechanical responses in micro-reactors under varied operating conditions"
    Eur. J. Mech. A/Solids 109, 105452 (2025) PDF
  7. R. Chen, G. T. Craven
    "Heat Transport Hysteresis Generated Through Frequency Switching of a Time-Dependent Temperature Gradient"
    Entropy 27, 18 (2024) PDF
  8. R. Chen, G. T. Craven
    "The effect of temperature oscillations on energy storage rectification in harmonic systems"
    J. Phys. Condens. Matter 36, 405201 (2024) PDF
  9. L. Johnson, W. Malone, J. Rizk, T. Gibson, M. W. D. Cooper, G. T. Craven
    "Machine learning method to determine concentrations of structural defects in irradiated materials"
    Comput. Mater. Sci. 242, 113079 (2024) PDF
  10. R. Chen, T. Gibson, G. T. Craven
    "Molecular heat transport across a time-periodic temperature gradient"
    J. Chem. Phys. 160194305(2024) PDF
  11. A. White, G. T. Craven, V. Sharma, L. Collins
    "Optical and transport properties of plasma mixtures from ab initio molecular dynamics"
    Physics of Plasmas 31, 042706 (2024) PDF
  12. R. Chen, T. Gibson, G. T. Craven
    "Energy transport between heat baths with oscillating temperatures"
    Phys. Rev. E 108, 024148 (2023) PDF
  13. G. T. Craven, R. Chen, M. W. D. Cooper, C. Matthews, J. Rizk, W. Malone, L. Johnson, T. Gibson, D. A. Andersson
    "Data-driven methods for diffusivity prediction in nuclear fuels"
    Comput. Mater. Sci. 230, 112442 (2023) PDF
  14. M. W. D. Cooper, J. Rizk, C. Matthews, V. Kocevski, G. T. Craven, T. Gibson, D. A. Andersson
    "Simulations of self-and Xe diffusivity in uranium mononitride including chemistry and irradiation effects"
    J. Nucl. Mater. 587, 154685 (2023) PDF
  15. G. T. Craven and B. M. Wilson
    "Generalized kinetic model for defect evolution in irradiated materials"
    Los Alamos National Laboratory Technical Report, LA-UR-23-25179 (2023) PDF
  16. G. T. Craven, A. Nitzan
    "Electron hopping heat transport in molecules"
    J. Chem. Phys. 158, 174306 (2023) PDF
  17. B. Cui, G. T. Craven, A. Nitzan
    "Heat transport induced by electron transfer: A general temperature quantum calculation"
    J. Chem. Phys. 155, 194104 (2021) PDF
  18. G. T. Craven
    "Analytical solutions of the Arrhenius-Semenov problem for constant volume burn"
    Los Alamos National Laboratory Technical Report, LA-UR-21-31229 (2021) PDF
  19. G. T. Craven, N. Lubbers, K. Barros, S. Tretiak
    "Machine learning approaches for structural and thermodynamic properties of a Lennard-Jones fluid"
    J. Chem. Phys. 153, 104502 (2020) PDF
  20. G. T. Craven, N. Lubbers, K. Barros, S. Tretiak
    "Ex machina determination of structural correlation functions"
    J. Phys. Chem. Lett. 11, 4372–4378 (2020) PDF
  21. G. T. Craven and A. Nitzan
    "Wiedemann-Franz law for molecular hopping transport"
    Nano Lett. 20, 989-993 (2020) PDF
  22. G. T. Craven, D. He, and A. Nitzan
    "Electron-transfer-induced thermal and thermoelectric rectification"
    Phys. Rev. Lett. 121, 247704 (2018) PDF
  23. G. T. Craven, R. Chen, and A. Nitzan
    "Upside/Downside statistical mechanics of nonequilibrium Brownian motion. II. Heat transfer and energy partitioning of a free particle"
    J. Chem. Phys. 149, 104103 (2018) PDF
  24. G. T. Craven and A. Nitzan
    "Upside/Downside statistical mechanics of nonequilibrium Brownian motion. I. Distributions, moments, and correlation functions of a free particle"
    J. Chem. Phys. 148, 044101 (2018) PDF
  25. R. Chen, G. T. Craven, and A. Nitzan
    "Electron-transfer-induced and phononic heat transport in molecular environments"
    J. Chem. Phys. 147, 124101 (2017) PDF
  26. G. T. Craven, A. Junginger, and R. Hernandez
    "Lagrangian descriptors of driven chemical reaction manifolds"
    Phys. Rev. E 96, 022222 (2017) PDF
  27. F. Revuelta, G. T. Craven, T. Bartsch, F. Borondo, R. M. Benito, and R. Hernandez
    "Transition state theory for activated systems with driven anharmonic barriers"
    J. Chem. Phys. 147, 074104 (2017) PDF
  28. G. T. Craven and A. Nitzan
    "Electrothermal transistor effect and cyclic electronic currents in multithermal charge transfer networks"
    Phys. Rev. Lett. 118, 207201 (2017) PDF
  29. G. T. Craven and A. Nitzan
    "Electron transfer at thermally heterogeneous molecule-metal interfaces"
    J. Chem. Phys. 146, 092305 (2017) PDF
  30. G. T. Craven and A. Nitzan
    "Electron transfer across a thermal gradient"
    Proc. Natl. Acad. Sci. 113, 9421 (2016) PDF
  31. A. Junginger, G. T. Craven, T. Bartsch, F. Revuelta, F. Borondo, R. M. Benito, and R. Hernandez
    "Transition state geometry of thermal chemical reactions on time-dependent double-well potentials"
    Phys. Chem. Chem. Phys. 18, 30270 (2016) PDF
  32. G. T. Craven and R. Hernandez
    "Deconstructing field-induced ketene isomerization through Lagrangian descriptors"
    Phys. Chem. Chem. Phys. 18, 4008-4018 (2016) PDF
  33. A. V. Popov, G. T. Craven, and R. Hernandez
    "Nonequilibrium structure in sequential assembly"
    Phys. Rev. E 92, 052108 (2015) PDF
  34. G. T. Craven and R. Hernandez
    "Lagrangian descriptors of thermalized transition states on time-varying energy surfaces"
    Phys. Rev. Lett. 115, 148301 (2015) PDF
  35. G. T. Craven, A. V. Popov, and R. Hernandez
    "Stochastic dynamics of penetrable rods in one dimension: Entangled dynamics and transport properties"
    J. Chem. Phys. 142, 154906 (2015) PDF
  36. G. T. Craven, T. Bartsch, and R. Hernandez
    "Chemical reactions induced by oscillating external fields in weak thermal environments"
    J. Chem. Phys. 142, 074108 (2015) PDF
  37. G. T. Craven, A. V. Popov, and R. Hernandez
    "Effective surface coverage of coarse-grained soft matter"
    J. Phys. Chem. B 118, 14092-14102 (2014) PDF
  38. G. T. Craven, T. Bartsch, and R. Hernandez
    "Communication: Transition state trajectory stability determines barrier crossing rates in chemical reactions induced by time-dependent oscillating fields"
    J. Chem. Phys. 141, 041106 (2014) PDF
  39. G. T. Craven, A. V. Popov, and R. Hernandez
    "Structure of a tractable stochastic mimic of soft particles"
    Soft Matter 10, 5350-5361 (2014) PDF
  40. G. T. Craven, T. Bartsch, and R. Hernandez
    "Persistence of transition state structure in chemical reactions driven by fields oscillating in time"
    Phys. Rev. E 89(4), 040801(R) (2014) PDF
  41. G. T. Craven, A. V. Popov, and R. Hernandez
    "Stochastic dynamics of penetrable rods in one dimension: Occupied volume and spatial order"
    J. Chem. Phys. 138, 244901 (2013) PDF
  42. V. K. Dolmatov, G. T. Craven, and D. Keating
    "Confinement and electron correlation effects in photoionization of atoms in endohedral anions: Ne@C60z-"
    J. Phys. Conf. Ser. 212, 012015 (2010) PDF
  43. V. K. Dolmatov, G. T. Craven, E. Guler, and D. Keating
    "Revivification of confinement resonances in the photoionization of A@C60 endohedral atoms far above thresholds"
    Phys. Rev. A 80, 035401 (2009) PDF
  44. V. K. Dolmatov, G. T. Craven, E. Guler, and D. Keating
    "Far above threshold confinement resonances in A@C60 atoms"
    J. Phys. Conf. Ser. 194, 022025 (2009) PDF