Bernd Pfrommer  Email: berndp@optonline.net Home address:  71 Denise Drive  Stamford, CT 06905  Phone: (203) 461 9335

Publications: 

• Temperature-Dependent Hydrogen-Bond Geometry in Liquid Water (pdf file).
  Modig, K.; Pfrommer, B.G. ; Halle, B.,
  Physical Review Letters, 19 Feb. 2003, vol. 90: 075502
• Si-O-Si bond-angle distribution in vitreous silica from first-principles: 29-Si NMR analysis.
  Mauri, F.; Pasquarello, A.; Pfrommer, B.G.; Yoon, Y.-G.; Louie, S.G.,
  Physical Review B (Condensed Matter), vol. 62: R4786-9.
• NMR chemical shifts of ice and liquid water: the effects of condensation(gzip'ed postscript file) (ugly converted pdf file here)
  Pfrommer, B.G.; Mauri, F.; Louie, S.G.,
  Journal of the American Chemical Society, 12 Jan. 2000, vol. 122, (no. 1):123-9.
• Signature of surface states on NMR chemical shifts: A theoretical prediction.
  Mauri, F.; Pfrommer, B.G.; Louie, S.G.,
  Physical Review B (Condensed Matter), 15 Jul. 1999, vol. 60, (no 4):2941-5.
• Unconstrained Energy Functionals for Electronic Structure Calculations (compressed postscript file)
  Pfrommer, B.G.; Demmel, J.; Simon, H.,
  Journal of Computational Physics, 20 Mar. 1999, vol. 150, (no. 1):287-98.
• Electronic Structure and Nuclear Magnetic Resonance Chemical Shift of Solids and Surfaces (gzipped postscript file)
  Pfrommer, B.G.
  Dissertation, University of California at Berkeley, Feb 1998.
• Density Functional Study of the Magnetic and Metal-Insulator Transition of bcc Hydrogen (compressed postscript file)
  Pfrommer, B.G., Louie, S.G.,
  Physical Review B (Condensed Matter), 15 Nov. 1998, vol. 58, (no. 19):12680-3
• Ab initio NMR chemical shifts in hard carbon nitride compounds(gzip'ed postscript file).
  Yoon, Y.-G.; Pfrommer, B.G.; Mauri, F.; Louie, S.G.,
  Physical Review Letters, 13 April 1998, vol. 80, (no. 15):3388-91.
• Ab initio NMR chemical shift of diamond, chemical-vapor-deposited diamond, and amorphous carbon.
  Mauri, F.; Pfrommer, B.G.; Louie, S.G.,
  Physical Review Letters, 22 Sept. 1997, vol. 70 (no. 12): 2340-3.
• Ab initio study of silicon in the R8 phase.
  Pfrommer, B.G.; Cote, M.; Louie, S.G.; Cohen, M.L.,
  Physical Review B (Condensed Matter), 15 Sept. 1997, vol. 56, (no. 11):6662-8.
• Structure, bonding, and geochemistry of xenon at high pressures.
  Caldwell, W.A.; Nguyen, J.H.; Pfrommer, B.G.; Mauri, F.; Louie, S.G.; Jeanloz, R.
  Science, 15 Aug. 1997, vol. 277, (no. 5328):930-3.
• Relaxation of Crystals with the Quasi-Newton Method (compressed postscript file)
  Pfrommer, B.G.; Cote, M.; Louie, S.G.; Cohen, M.L.,
  Journal of Computational Physics, Feb. 1997, vol. 131, (no.1):233-40
• Ab-initio theory of NMR chemical shifts in solids and liquids (compressed postscript file)
  Mauri, F.; Pfrommer, B.G.; Louie, S.G.,
  Physical Review Letters, 23 Dec. 1996, vol. 77, (no. 26):5300-3.
• Possibility of Li-Mg and Al-Mg hydrides being metallic.
  Pfrommer, B.G.; Elsaesser, C.; Faehnle, M.,
  Physical Review B (Condensed Matter), 15 Aug. 1994, vol. 50, (no. 8):5089-93.

• Conjugate-Gradient Based Electronic Structure Calculations on the Cray T3E and SGI PowerChallenge (postscript file)
  Pfrommer, B.G., Louie, S.G. and Simon, H.
  Eighth SIAM Conference on Parallel Processing for Scientific Computing (Minneapolis), 17 Mar. 1997.
• NMR chemical shift calculations on parallel platforms (1st place Mannheim SuparCup)
• Fast Parallel Iterative Matrix Diagonalization
• Slow Fourier Transforms on Fast Microprocessors
• MPI on U-Net
• Master's thesis in Computer Science (compressed postscript file, 6.3MB)
• Some documentation on the Berkeley electronic structure code PARATEC. Note that I no longer support this software. Please contact Professor S.G. Louie with questions about availability.