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

Chapter 6:

Computational Materials

-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
-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
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