Publications

Stanek, L.J., Hansen, S.B., Kononov, A., Cochrane, K., Clay, R.C., Townsend, J.P., Dumi, A., Lentz, M.K., Melton, C.A., Baczewski, A.D., Knapp, P.F., Haines, B.M., Hu, S.X., Murillo, M.S., Stanton, L.G., Whitley, H.D., Baalrud, S.D., Babati, L.J., Bethkenhagen, M., … White, A.J. (2024). Review of the second charged-particle transport coefficient code comparison workshop. Physics of Plasmas, 31(5). https://doi.org/10.1063/5.0198155

Melton, C.A., Clay, R.C., Cochrane, K., Dumi, A., Gardiner, T.A., Lentz, M.K., Townsend, J.P., & Townsend, J.P. (2024). Transport coefficients of warm dense matter from Kohn-Sham density functional theory. Physics of Plasmas, 31(4), pp. 1-43903. https://doi.org/10.1063/5.0198005

Melton, C.A., Dumi, A., Clay, R.C., Cochrane, K., Lentz, M.K., Townsend, J.P., & Townsend, J.P. (2024). Transport Coefficients of Warm Dense Matter From Density Functional Theory [Conference Presenation]. 10.2172/2540360

Clay, R.C., Melton, C.A., Townsend, J.P., Shulenburger, L., & Shulenburger, L. (2024). Validating Spin-Orbit QMC for Equation of State Calculations of Heavy Elements [Conference Presenation]. 10.2172/2540332

Duwal, S., McCoy, C.A., Foulk, J.W., Melton, C.A., Knudson, M.D., Seagle, C.T., & Seagle, C.T. (2022). Structures and equation of state of gadolinium using in-situ x-ray diffraction [Conference Presenation]. 10.2172/2005693

Annaberdiyev, A., Melton, C.A., Wang, G., Mitas, L., & Mitas, L. (2022). Electronic structure of α-RuCl3 by fixed-node and fixed-phase diffusion Monte Carlo methods. Physical Review. B, 106(7). https://doi.org/10.1103/physrevb.106.075127

Melton, C.A. (2022). Challenges of ab-initio modeling for shocked Sm [Conference Presenation]. 10.2172/2006372

Melton, C.A. (2021). Spin-Orbit Coupling in Quantum Monte Carlo [Presentation]. https://www.osti.gov/biblio/1899504

Melton, C.A., Clay, R.C., Shulenburger, L., Bennett, M., Annaberdiyev, A., Wang, G., Zhou, H., Kincaid, B., Mitas, L., & Mitas, L. (2021). Robust, Non-Perturbative Inclusion of Spin-Orbit Effects Into QMC [Conference Poster]. 10.2172/1889355

Annaberdiyev, A., Wang, G., Melton, C.A., Bennett, M.C., Mitas, L., & Mitas, L. (2021). Cohesion and excitations of diamond-structure silicon by quantum Monte Carlo: Benchmarks and control of systematic biases. Physical Review B, 103(20). 10.1103/physrevb.103.205206

Kent, P., Doak, P., Krogel, J., Clay, R.C., Melton, C.A., Shulenburger, L., Correa, A., Morales-Silva, M., Benali, A., Dewing, M., Luo, Y., Shin, H., Briggs, E., Lu, W., Bernholc, J., & Bernholc, J. (2021). Towards QMCPACK Performance Portability [Conference Poster]. 10.2172/1862898

Melton, C.A., Shulenburger, L., & Shulenburger, L. (2021). Accurate Calculations of a Solid State Test Set with QMC Methods [Conference Poster]. 10.2172/1860306

Melton, C.A. (2020). Quantum Monte Carlo for Ab-Initio Equation of States [Conference Poster]. https://www.osti.gov/biblio/1812456

Melton, C.A., Mitas, L., & Mitas, L. (2020). Many-body electronic structure of LaScO3 by real-space quantum Monte Carlo. Physical Review B, 102(4). 10.1103/physrevb.102.045103

Kent, P.R.C., Annaberdiyev, A., Benali, A., Bennett, M.C., Landinez Borda, E.J., Doak, P., Jordan, K.D., Krogel, J.T., Kylanpaa, I., Lee, J., Luo, Y., Malone, F.D., Melton, C.A., Mitas, L., Morales, M.A., Neuscamman, E., Reboredo, F.A., Rubenstein, B., Saritas, K., … Zhao, L. (2020). QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo. Journal of Chemical Physics, 152(17). 10.1063/5.0004860

Annaberdiyev, A., Melton, C.A., Bennett, M.C., Wang, G., Mitas, L., & Mitas, L. (2020). Accurate Atomic Correlation and Total Energies for Correlation Consistent Effective Core Potentials. Journal of Chemical Theory and Computation, 16(3), pp. 1482-1502. 10.1021/acs.jctc.9b00962

Melton, C.A., Krogel, J., Malone, F., Morales, M., Shulenburger, L., & Shulenburger, L. (2020). Accurate Calculations of a Solid State Test Set with Quantum Monte Carlo Methods [Conference Poster]. https://www.osti.gov/biblio/1770542

Wang, G., Annaberdiyev, A., Melton, C.A., Bennett, M.C., Shulenburger, L., Mitas, L., & Mitas, L. (2019). A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions. Journal of Chemical Physics, 151(14). 10.1063/1.5121006

Annaberdiyev, A., Wang, G., Melton, C.A., Bennett, M., Shulenburger, L., Mitas, L., & Mitas, L. (2018). A new generation of effective core potentials from correlated calculations: 3d transition metal series. Journal of Chemical Physics, 149(13). 10.1063/1.5040472

Bennett, M., Wang, G., Annaberdiyev, A., Melton, C.A., Shulenburger, L., Mitas, L., & Mitas, L. (2018). New generation of effective core potentials from correlated calculations: 2nd row elements. Journal of Chemical Physics, 149(10). 10.1063/1.5038135

Kim, J., Baczewski, A.D., Beaudet, T.D., Benali, A., Bennett, M., Berrill, M.A., Blunt, N.S., Casula, M., Ceperley, D.M., Chiesa, S., Clark, B.K., Clay, R.C., Delaney, K.T., Dewing, M., Esler, K.P., Hao, H., Hein, O., Kent, P.R.C., Krogel, J.T., … Zhao, L. (2018). QMCPACK : an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids. Journal of Physics. Condensed Matter, 30(19). https://doi.org/10.1088/1361-648x/aab9c3

Bennett, M., Melton, C.A., Shulenburger, L., Annaberdiyev, A., Wang, G., Mitas, L., & Mitas, L. (2017). A new generation of effective core potentials for correlated calculations. Journal of Chemical Physics, 147(22). 10.1063/1.4995643