Phone: (925) 423-4223
Fax: (925) 422-6594
E-Mail: galligygi1@llnl.gov
Address: Lawrence Livermore National Lab
7000 East Avenue, L-415
Livermore, CA 94550
Giulia Galli is the Quantum Simulations Group Leader in the Physics and Advanced Technologies Directorate at the Lawrence Livermore National Laboratory (LLNL). She received a Ph.D. degree in Physics from the International School for Advanced Studies in Trieste, Italy in 1986. After postdoctoral positions at the University of Illinois at Urbana Champaign and the IBM Research Division in Zurich, Switzerland, she joined the Swiss Institute for Numerical Research at the Swiss Poly-technical School in Lausanne, where she was Senior Researcher and then Senior Scientist. In 1998 she moved to LLNL as a Staff Scientist and became a Group Leader in 2000. In 2001, she received a Department of Energy/Defense Program award of excellence for "Technical Excellence in Advanced Simulations" and she was awarded two LLNL Awards of Excellence, by the Defense and Nuclear Technology and the Computation Directorates, respectively. She is a Fellow of the American Physical Society .Her current research activity is focused on computational investigations of systems and processes relevant to condensed matter physics, physical chemistry, materials and nano-science, using quantum simulations, in particular ab-initio Molecular Dynamics and Quantum Monte Carlo techniques. Topics of current interest include nanostructures and complex surfaces, as well as modeling bio-molecules in solution and fluids and solids under pressure.

Recent Publications

Self-healing of CdSe nanocrystals: first principles calculations, A.Puzder, A.Williamson, F.Gygi and G.Galli, Phys.Rev.Lett 2004

Atomic control of water interaction with bio-compatible surfaces: The case of SiC(001), G.Cicero, A.Catellani and G.Galli, Phys.Rev.Lett 2004

Computational engineering of the stability and optical gaps of SiC quantum dots, F.Reboredo, L.Pizzagalli and G.Galli, Nano Lett. 2004

Solution synthesis of Germanium Nanocrystals: Success and open challenges, D. Gerion, N.Zaitseva, C.Saw, M.F.Casula, S.Fakra, T.Van Buuren and G.Galli, Nano Lett. 4, 597 (2004).

Probing the electronic density of states of germanium nanoparticles: a method for determining atomic structure, A.Williamson, C.Bosedt, T.Van Buuren, T.M.Willey, L.Terminello, L.Pizzagalli and G.Galli, Nano Lett. 2004

Ab-initio calculations in a uniform magnetic field using periodic supercells, W.Cai and G.Galli, Phys.Rev.Lett 2004.

Optical properties of passivated silicon nanoclusters: the role of synthesis, E. Draeger, J.C.Grossman, A.J. Williamson, and G. Galli, J.Chem.Phys. 2004.

Insulator to metal transition in fluid hydrogen, R.Q.Hood and G.Galli J.Chem.Phys. 120, no.12 (2004).

Ab-initio simulations of dense liquid deuterium: comparison with gas gun shock wave experiments, S.Bonev, B.Militzer and G.Galli, Phys. Rev. B 69, 014101 (2004).

First principles simulations of rigid water, M.Allesch, E.Schwegler, F.Gygi and G.Galli, J.Chem.Phys. 120, no.11 (2004).

Towards an assessment of the accuracy of Density Functional Theory for first principles simulations of water, J.Grossman, E.Schwegler, E.Draeger, F.Gygi and G.Galli, J.Chem.Phys. 120, 300 (2004).

Structure and bonding of dense liquid oxygen from first-principles simulations, B.Militzer, F.Gygi and G.Galli, Phys.Rev.Lett. 91, 265503 (2003).

Optically activated functionalization reactions in Si quantum dots, F.Reboredo, E.Schwegler and G.Galli, J.Amer.Chem.Soc. 125, 15243 (2003).

Ultradispersivity of diamond at the nanoscale, J-Y Raty and G.Galli, Nature Materials 2, 792 (2003).

The role of surface reconstructions on quantum confinement in semiconductor nanocrystals , A. Puzder, A.J. Williamson, F. Reboredo, and G. Galli , Phys.Rev.Lett. 91, 157405 (2003).

Melting of Lithium Hydride Under Pressure T.Ogitsu, E. Schwegler, F. Gygi, and G. Galli, Phys.Rev.Lett. 91, 175502 (2003).

Hydrogen falls into line, R.M.Martin and G.Galli, Nature 423, 595 (2003).

High-pressure molecular phases of solid carbon dioxide, S. A. Bonev, F. Gygi, T. Ogitsu, and G. Galli , Phys. Rev. Lett. 91, 065501 (2003).

Calculation of optical spectra of hydrogenated Si clusters with the Bethe-Salpeter equation: comparison to time-dependent LDA, L. X. Benedict, A. Puzder, A. Williamson, J. Grossman, G. Galli, J. E.Klepeis, J-Y Raty, and O. Pankratov, Phys. Rev. B 68, 085310 (2003).

Synthesis Dynamics of Passivated Silicon Nanoclusters, E. Draeger, J. Grossman, A. Williamson, and G. Galli, Phys. Rev. Lett. 90, 167402 (2003).

Optical emission of silicon nanocrystals, A. Puzder, A.Williamson, J. Grossman, and G. Galli J.Amer.Chem.Soc. 125, 2786 (2003).

Quantum Confinement and fullerene-like surface reconstruction in nanodiamond, J-Y. Raty, G. Galli, A.Van Buuren, and L. J. Terminello, Phys. Rev. Lett. 90, 037401 (2003).

Polaron formation and symmetry breaking, L.Zuppiroli, A.Bieber, D.Michoud, G.Galli, F.Gygi , N.M.Bussac and J.J.Andre, Chem.Phys.Lett. 374, 7 (2003).
 
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