Publications

Author:
Year:

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"Is the pinning of ordinary dislocations in γ-TiAl intrinsic or extrinsic in nature? A combined atomistic and kinetic Monte Carlo approach"
I.H. Katzarov and A.T. Paxton, December 2010
doi:10.1016/j.actamat.2010.10.060

"Small cluster model of the NV centre in diamond"
P. Delaney and J.A. Larsson, February 2010
doi:10.1016/j.phpro.2010.01.217

"Spin-Polarization Mechanisms of the Nitrogen-Vacancy Center in Diamond"
Paul Delaney and James C. Greer and J. Andreas Larsson, January 2010
doi:10.1021/nl903646p

"Electronic structure and total energy of interstitial hydrogen in iron: Tight-binding models"
A. T. Paxton and C. Elsässer, December 2010
doi:10.1103/physrevb.82.235125

"An introduction to the tight binding approximation---implementation by diagonalisation"
Paxton,A.T., March 2009

"The phase diagram of water at negative pressures: virtual ices"
Conde,M. and Vega,C. and Tribello,G. and Slater,B., 2009

"Exciton-plasmon states in nanoscale materials: breakdown of the Tamm-Dancoff approximation"
Gruening,M. and Marini,A. and Gonze,X., 2009

"Yambo: An ab initio tool for excited state calculations"
Marini,A. and Hogan,C. and Gruening,M. and Varsano,D., 2009

"A molecular dynamics study of the early states of calcium carbonate growth"
Tribello,G. and Bruneval,F. and Liew,C.C. and Parrinello,M., 2009

"Binding of calcium and carbonate to polyacrylates"
Tribello,G. and Liew,C. and Parrinello,M., 2009

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