Publications

This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.

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43 results for P.E. Blöchl

Electronic structure of the Cu, Zn superoxide dismutase active site and its interactions with the substrate
- - Paolo Carloni
  - Peter E. Blöchl
  - et al.
- 1995
- Journal of Physical Chemistry
Dynamics of beryllocene
- - Peter Margl
  - Karlheinz Schwarz
  - et al.
- 1995
- The Journal of Chemical Physics
Projector augmented-wave method
- - P.E. Blöchl
- 1994
- Physical Review B
Improved tetrahedron method for Brillouin-zone integrations
- - Peter E. Blöchl
  - O. Jepsen
  - et al.
- 1994
- Physical Review B
Finite-temperature characterization of ferrocene from first-principles molecular dynamics simulations
- - Peter Margl
  - Karlheinz Schwarz
  - et al.
- 1994
- The Journal of Chemical Physics
First-principles calculations of hyperfine parameters
- - Chris G. Van De Walle
  - P.E. Blöchl
- 1993
- Physical Review B
Crystal orbital hamilton populations (COHP). Energy-resolved visualization of chemical bonding in solids based on density-functional calculations
- - Richard Dronskowski
  - Peter E. Blöchl
- 1993
- Journal of Physical Chemistry
Hypothetical Carbon Modifications Derived from Zeolite Frameworks
- - Reinhard Nesper
  - Karlheinz Vogel
  - et al.
- 1993
- Angewandte Chemie International Edition in English
Interacting loop-current model of superconducting networks
- - C.C. Chi
  - P. Santhanam
  - et al.
- 1992
- Journal of Low Temperature Physics
Native defects and self-compensation in ZnSe
- - D.B. Laks
  - C.G. Van De Walle
  - et al.
- 1992
- Physical Review B