Nanotech 2001 Vol. 2
Nanotech 2001 Vol. 2
Technical Proceedings of the 2001 International Conference on Computational Nanoscience and Nanotechnology

Computational Materials Chapter 6

Simulation of Two-level Tunneling States and Floppy Modes in Silica Glass
K. Trachenko, M.T. Dove and V. Heine
University of Cambridge, UK

Phase Stability and Thermoelectric Properties of Alkali-Metal Doped Group IV Clathrate Compounds
R. Rousseau, E. Toderov, K. Uehara and J.S. Tse
National Research Council of Canada, CA

Ab Initio Molecular Dynamics Study of the Pressure Induced Phase Transformations in Cristobalite
D.D. Klug, R. Rousseau, K. Uehara, M. Bernasconi and J.S. Tse
National Research Council of Canada, CA

Computer Program Simulation of Protein Structure I
K.U. Lu
California State University, US

Electronic Transport in Molecular Devices from First Principles
M. Di Ventra, N.D. Lang and S.T. Pantelides
Virginia Tech, US

Kinetic and Numerical Approaches to Nucleation and Growth During a First Order Phase Transition
A. ten Bosch and D.I. Zhukhovitskii
CNRS, FR

Atomistic Modelling of Radiation Damage in Zircon
K. Trachenko, M.T. Dove and E.K.H. Salje
University of Cambridge, UK

Ab Initio and Improved Empirical Potentials for the Calculation of the Anharmonic Vibrational States and Intramolecular Mode Coupling of N-methylacetamide
S.K. Gregurick, G.M. Chaban and R.B. Gerber
University of Maryland, US

MonteCarlo Simulations of Carbon-based Structures Based on Extended Brenner Potential
A.V. Petukhov and A. Fasolino
Research Institute for Materials, Institute of Theoretical Physics, University of Nijmegen, LN


ISBN: 0-9708275-3-9
Pages: 218