Publications
24. Harding, B.P.; Mauri, Z.; Xie, V.; Pribram-Jones, A. Exchange-correlation entropy from the generalized thermal adiabatic connection. J. Chem. Phys., 160, 154108 (2024). web pdf
23. Martinetto, V.; Shah, K.; Cangi, A.; Pribram-Jones, A. Inverting the Kohn-Sham equations with physics-informed machine learning. Mach. Learn.: Sci. Technol., 5, 015050 (2024). web pdf
22. Leano, R.J.; Pribram-Jones, A.; Strubbe, D.A. Approaching Periodic Systems in Ensemble Density Functional Theory via Finite One-Dimensional Models. arXiv:2402.17742 (2024). Submitted web pdf
21. Giarrusso, S. and Pribram-Jones, A. Møller-Plesset and density-fixed adiabatic connections for a model diatomic system at different correlation regimes. J. Chem. Theory Comput., 19, 17, 5835–5850 (2023). web pdf notebook
20. Abou Taka, A.; Corzo, H.H.; Pribram-Jones, A.; Hratchian, H.P. Good Vibrations: Calculating Excited-State Frequencies Using Ground-State Self-Consistent Field Models. J. Chem. Theory Comput., 18, 12, 7286–7297 (2022). web pdf
19. Giarrusso, S. and Pribram-Jones, A. Comparing correlation components and approximations in Hartree-Fock and Kohn-Sham theories via an analytical test case study. J. Chem. Phys., 157, 054102 (2022). web pdf
18. Abou Taka, A.; Lu, S.-Y.; Gowland, D.; Zuehlsdorff, T.J.; Corzo, H.H.; Pribram-Jones, A.; Shi, L.; Hratchian, H.P.; Isborn, C.M. Comparison of Linear Response Theory, Projected Initial Maximum Overlap Method, and Molecular Dynamics Based Vibronic Spectra: The Case of Methylene Blue. J. Chem. Theory Comput., 18, 5, 3039–3051 (2022). web pdf
17. Harding, B.P.; Mauri, Z.; Pribram-Jones, A. Approximate bounds and temperature dependence of adiabatic connection integrands for the uniform electron gas. J. Chem. Phys., 156, 134104 (2022). web pdf
16. Corzo, H.H.; About Taka, A.; Pribram-Jones, A.; Hratchian, H.P. Using Projection Operators With Maximum Overlap Methods to Simplify Challenging Self-Consistent Field Optimization. J. Comp. Chem., 43: 382–390 (2022). web pdf
15. Soper, A.; Shaw, A.L.; Conway, P.L.J.; Pomrehn, G.S.; Ferry, M.; Bassman, L.; Pribram-Jones, A.; Laws, K.J. Assessing Mg–Sc–(rare earth) ternary phase stability via constituent binary cluster expansions. Comput. Mater. Sci., 207, 111240 (2022). web pdf
14. Hwang, E.; Cuddy, E.; Lin, J.; Kaufman J. L.; Shaw, A; Conway, P. L. J.; Pribram-Jones, A; Laws, K.J.; and Bassman, L. Predicting ductility in quaternary B2-like alloys. Phys. Rev. Mater., 5, 033604 (2021). web pdf
13. Yang, Z.-Y.; Pribram-Jones, A.; Burke, K.; Ullrich, C.A. Direct extraction of excitation energies from ensemble density-functional theory. Phys. Rev. Lett., 119, 033003 (2017). web pdf supp
12. Kaufman, J.L.; Pomrehn, G.S.; Pribram-Jones, A.; Mahjoub, R.; Ferry, M.; Laws, K.J.; and Bassman, L. Stacking fault energies of non-dilute binary alloys using special quasirandom structures. Phys. Rev. B, 95, 094112 (2017). web pdf
11. Aron-Dine, S.; Pomrehn, G.S.; Pribram-Jones, A.; Laws, K.J.; Bassman, L. First principles investigation of structural and magnetic disorder in CuNiMnAl and CuNiMnSn Heusler alloys. Phys. Rev. B, 95, 024108 (2017). web pdf
10. Pribram-Jones, A.; Grabowski, P.E.; Burke, K. Thermal density functional theory: Time-dependent linear response and approximate functionals from the fluctuation-dissipation theorem. Phys. Rev. Lett., 116, 233001 (2016). web pdf
9. Smith, J.; Pribram-Jones, A.; Burke, K. Exact thermal density functional theory for a model system: Correlation components and accuracy for the zero-temperature exchange-correlation approximation. Phys. Rev. B, 93, 245131 (2016). web pdf
8. Burke, K.; Smith, J.; Grabowski, P.E.; Pribram-Jones, A. Exact conditions on the temperature dependence of density functionals. Phys. Rev. B, 93, 195132 (2016). web pdf
7. Pribram-Jones, A.; Burke, K. Connection formulas for thermal density functional theory. Phys. Rev. B, 93, 205140 (2016). web pdf
6. Cangi, A.; Pribram-Jones, A. Efficient formalism for warm dense matter simulations. Phys. Rev. B , 92, 161113(R)(2015). web pdf
5. Knudson, M.D.; Desjarlais, M.P.; Pribram-Jones, A. Adiabatic release measurements in aluminum between 400-1200 GPa: Characterization of aluminum as a shock standard in the multimegabar regime. Phys. Rev. B, 91, 224105 (2015). web pdf
4. Pribram-Jones, A.; Gross, David A.; Burke, K. DFT: A Theory Full of Holes? Ann. Rev. Phys. Chem., 66, 283-304 (2015), invited article . web pdf
3. Yang, Z.-H.; Trail, J.R.; Pribram-Jones, A.; Burke, K.; Needs, R.J.; Ullrich, C.A. Exact and approximate Kohn-Sham potentials in ensemble density-functional theory. Phys. Rev. A, 90, 042501 (2014). web pdf
2. Pribram-Jones, A.; Yang, Z.-H.; Trail, J.R.; Burke, K.; Needs, R.J.; Ullrich, C.A. Excitations and benchmark ensemble density functional theory for two electrons. J. Chem. Phys., 140, 18A541 (2014). web pdf
1. Pribram-Jones, A.; Pittalis, S.; Gross, E.K.U.; Burke, K. Thermal Density Functional Theory in Context. In: Frontiers and Challenges in Warm Dense Matter (F. Graziani, M. P. Desjarlais, R. Redmer, and S. B. Trickey, eds.), vol. 96 of Lecture Notes in Computational Science and Engineering, pp. 25–60, Springer International Publishing, 2014. web pdf