Stanimir Bonev

Contact information:

Lawrence Livermore National Laboratory
7000 East Avenue, L-413
Livermore, CA 94550
phone: (925) 422-4347
fax: (925) 422-6594


  • PhD in Physics, Cornell (2001)


My general research area is theoretical condensed matter physics. More specifically, I study material properties at high pressure and/or temperature conditions using first principles electronic structure methods. Topics of current interest include prediction of high-pressure crystalline structures at finite temperature; energetic materials; structural and thermodynamic properties of planetary liquids; computation of phase boundaries, including melting curves; efficient methods for computing liquid free energies; physics/chemistry at extreme compression. 

Selected recent publications:

  • B. Boates and S.A. Bonev, “Demixing instability in dense molten MgSiO3 and the phase diagram of MgO” Phys. Rev. Lett. 110, 135504 (2013).

  • B. Boates, A.M. Teweldeberhan, and S.A. Bonev, “Stability of dense liquid carbon dioxide” Proc. Nat. Acad. Sci. 109, 14808 (2012).

  • A.M. Teweldeberhan, J.L. DuBois, and S.A. Bonev, "Stability of the high-pressure phases of CaTiO3 perovskite at finite temperatures" Phys. Rev. B 86, 064104 (2012).

  • F.A. Gorelli, S.F. Elatresh, C.L. Guilaume, M. Marques, G.J. Ackland, M. Santoro, S.A. Bonev, and E. Gregoryanz, "On lattice dynamics of dense lithium" Phys. Rev. Lett. 108, 055501 (2012).

  • B. Boates and S.A. Bonev, “Electronic and structural properties of dense liquid and amorphous nitrogen” Phys. Rev. B 83, 174114 (2011).

  • B. Boates, S. Hamel, E. Schwegler, & S.A. Bonev, “Structural and optical properties of liquid CO2 for pressures up to 1 terapascal” J. Chem. Phys. 134, 064504 (2011).

  • A.M. Teweldeberhan and S.A. Bonev, "Structural and thermodynamic properties of liquid Na-Li and Ca-Li alloys at high pressure" Phys. Rev. B 83, 134120 (2011). 

  • A.M. Teweldeberhan, J.L. DuBois, and S.A. Bonev, "High-pressure phases of calcium: Density-functional theory and diffusion quantum Monte Carlo approach" Phys. Rev. Lett. 105, 235503 (2010).

  • I. Tamblyn and S.A. Bonev, "Structure and phase boundaries of compressed liquid hydrogen" Phys. Rev. Lett. 104 065702 (2010).

  • B. Boates and S.A. Bonev, “First-order liquid-liquid phase transition in compressed nitrogen” Phys. Rev. Lett. 102, 015701 (2009).

  • S.A. Bonev and N.W. Ashcroft, "Diagrammatic quantum field formalism for localized electrons" Phys. Rev. B 78 195117 (2008).

  • I. Tamblyn, J.Y. Raty and S.A. Bonev, "Tetrahedral clustering in molten lithium under pressure" Phys. Rev. Lett. 101 075703 (2008).