Quantum Theory Project
2234 New Physics Bulding #92
Gainesville FL 32611-8435
Phone: (352) 392-1597
Fax: (352) 392-8722
Email:"lastname" qtp ufl edu

Contributed Presentations

• A combined quantum mechanical and classical mechanical method and its application in silica
  Mao-Hua Du
  Poster at 42nd Sanibel Symposium, St. Augustine, FL, February 28, 2002
• Encoding First Principles Electronic Structure Information in Classical Potentials: SiO2
  S. B. Trickey, A. R. Al-Derzi, N. Flocke, W. Zhu, M. Cory, K. Runge, T. Zhu, J. Li and S. Yip
  American Physical Society March Meeting, 2002
• Hydrolytic Weakening in Amorphous Silica
  C. Zhang, M. Du, L. Wang, A. M. Kolchin and H.-P. Cheng
  American Physical Society March Meeting, 2002
• Atomic and Electronic Properties of Neutral and Cationic Be and BeLi_k Clusters
  A. M. Kolchin, H.-P. Cheng and R. W. Hall
  American Physical Society March Meeting, 2002
• Molecular Dynamics Driven by a Class of Quantum Chemical Hamiltonians
  K. Runge, C. Taylor, Y.-W. Hsiao, M. Cory and R. J. Bartlett
  American Physical Society March Meeting, 2002
• A Combined Quantum Mechanical and Classical Mechanical (QM/CM) Method and its Applications in Silica
  M. Du and H.-P. Cheng
  American Physical Society March Meeting, 2002
  
• Molecular Dynamics and Finite Element Hybrid Method -- Amorphization and Fracture in SiO₂ Nanowire
  L. Wang, Q. Tang and H.-P. Cheng
  American Physical Society March Meeting, 2002
• Large Scale Simulations with Quantum Mechanical Forces
  R. J. Bartlett, C. Taylor, M. Cory and K. Runge
  American Physical Society March Meeting, 2002
• Quantum Mechanical Forces in the Description of Water Silica Interactions
  C. Taylor and R. J. Bartlett
  American Physical Society March Meeting, 2002
• Quantum Simulation of SiO₂-Water Clusters
  H.-P. Cheng and M. Du
  American Physical Society March Meeting, 2002
• Simulated Surface-Impact Collisions of Fullerenes
  F. E. Harris and R. T. Chancey
  American Physical Society March Meeting, 2002
• Computer Simulation Studies of Fracture in Vitreous Silica
  R. Ochoa, M. Arief and J. H. Simmons
  Materials Research Society Symposium, San Francisco CA
• Encoding First Principles Electronic Structure Information in Classical Potentials: alpha-Quartz
  W. Zhu, N. Flocke and S. B. Trickey
  Sanibel Symposium, St. Augustine FL, February 2002
• Encoding First Principles Cluster Information in Semi-empirical Potentials: SiO₂
  A. R. Al-Derzi, K. Runge, M. Cory, and S. B. Trickey
  Sanibel Symposium, St. Augustine FL, February 2002
• Real-Space Atomic-Orbital-Based Coupled Cluster Theory for Extended Systems
  M. Tobita, S. Hirata and R. J. Bartlett
  Sanibel Symposium, St. Augustine FL, February 2002
• Molecular Dynamics and Finite Element Hybrid Method--Amorphization and Fracture in SiO₂ Nanowire
  L. Wang and H.-P. Cheng
  Sanibel Symposium, St. Augustine FL, February 2002
• Atomic and Electronic Properties of Neutral and Cationic Metallic Clusters
  A. M. Kolchin, H.-P. Cheng and R. W. Hall
  Sanibel Symposium, St. Augustine FL, February 2002
• The Transfer Hamiltonian: Parameterization of Semi-Empirical NDDO Hamiltonians Using ab initio Coupled Cluster Theory with Application to MD Simulations of Fracture
  C. E. Taylor, M. G. Cory and R. J. Bartlett
  Sanibel Symposium, St. Augustine FL, February 2002
• Calculated Fragmentation Patterns in C₆₀ Collisions with a Hard Wall
  R. T. Chancey, L. B. Oddershede, F. E. Harris and J. R. Sabin
  Sanibel Symposium, St. Augustine FL, February 2002
• Cumulant-Based Approximations to Reduced Density Matrices
  F. E. Harris
  Sanibel Symposium, St. Augustine FL, February 2002
• Kinetic Monte Carlo Simulations of Dislocation Etch-Pits
  D.N. Bentz and K.A. Jackson
  Materials Research Society National Meeting, Fall 2001
• SiO₃ Structure And Vibrational Spectrum
  A. Beste and R. J. Bartlett
  Sanibel Symposium, St. Augustine FL, February 2001
• Analytical Gradient for Gaussian Basis Extended Systems Calculations Including Long Range Effects
  M. Tobita, S. Hirata and R. J. Bartlett
  Sanibel Symposium, St. Augustine FL, February 2001
• Connection Between Semiempirical and Correlated Hamiltonians
  C. Taylor, N. Flocke and R. J. Bartlett
  Sanibel Symposium, St. Augustine FL, February 2001
• CORBA as a Unifying Tool for Quantum Chemistry Software
  P. Rozyczko and R. J. Bartlett
  Sanibel Symposium, St. Augustine FL, February 2001
• Characteristics of Heterogenous Cluster (Carbon Fullerenes Coated by Xe Shell)--Si(111) Surface Collisions
  M. Du and H.-P. Cheng
  Sanibel Symposium, St. Augustine FL, February 2000
• Multiscale Modeling of Wave Propagation: FDTD/MD Hybrid Method
  K. Muralidharan, P. A. Deymier and J. H. Simmons
  Presented somewhere

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