Dr. Vanessa de Souza
Publications

2012

  • V. K. de Souza and P. Harrowell, J. Chem Phys., 136, 054507 (2012)    [Abstract]
    Structurally determined directionality identifies the boundary between mobile and immobile domains in a disordered material

2011

  • V. K. de Souza and P. Harrowell, J. Chem Phys., 135, 194505 (2011)    [Abstract]
    The influence of overconstraint on the spatial distribution of mobility in an amorphous network

  • V. K. de Souza and P. Harrowell, Phys. Rev. E, 83, 011501 (2011)    [Abstract]
    Length scales of dynamic heterogeneities in a network of fluctuating mechanical constraints

2010

  • V. K. de Souza, Invited Feature Article, Computational Physics Newsletter, Institute of Physics (2010)
    Glassy Dynamics and the Potential Energy Landscape

2009

  • V. K. de Souza and P. Harrowell, Phys. Rev. E, 80, 041503 (2009)    [Abstract]
    Unconstrained motions, dynamic heterogeneities, and relaxation in disordered solidsi

  • V. K. de Souza and P. Harrowell, Proc Natl Acad Sci USA, 106, 15136 (2009)   
    Rigidity Percolation and the Spatial Heterogeneity of Soft Modes in Disordered Materials

  • V. K. de Souza and D. J. Wales, J. Chem. Phys., 130, 194508 (2009)   [Abstract]
    Connectivity in the Potential Energy Landscape for Binary Lennard-Jones Systems

  • D. J. Wales, J. M. Carr, M. Khalili, V. K. de Souza, B. Strodel, and C. S. Whittleston, in "Proteins: Energy, Heat and Signal Flow (Computation in Chemistry)",
    edited by D. M. Leitner and J. E. Straub, Taylor and Francis/CRC Press (2009).
      
    Pathways and Rates for Structural Transformations of Peptides and Proteins

2008

  • V. K. de Souza and D. J. Wales, J. Chem. Phys., 129, 164507 (2008).   [Abstract]
    Energy Landscapes for Diffusion: Analysis of Cage-Breaking Processes

  • V. K. de Souza, PhD thesis, University of Cambridge (2008).   
    Glassy Dynamics and the Potential Energy Landscape

2007

  • F. Calvo, T. V. Bogdan, V. K. de Souza and D. J. Wales, J. Chem. Phys., 127, 044508 (2007).   [Abstract]
    Equilibrium Density of States and Thermodynamic Properties of a Model Glass-Former

2006

  • V. K. de Souza and D. J. Wales, Phys. Rev. B, 74, 134202 (2006)    [Abstract]
    Correlation Effects and Super-Arrhenius Diffusion in Binary Lennard-Jones Mixtures

  • V. K. de Souza and D. J. Wales, Phys. Rev. Lett., 96, 057802 (2006)   [Abstract]
    Super-Arrhenius Diffusion in a Binary Lennard-Jones Liquid Results from a Quantifiable Correlation Effect

2005

  • V. K. de Souza and D. J. Wales, J. Chem. Phys., 123, 134504 (2005)   [Abstract]
    Diagnosing broken ergodicity using an energy fluctuation metric

2004

  • J. A. Townsend, S.  E. Adams, C. A. Waudby, V. K. de Souza, J. M. Goodman and P. Murray-Rust, Org. Bio. Chem., 2, 3294, (2004)
    Chemical documents: machine understanding and automated information extraction