Sandro Scandolo

Permanent Scientific Staff

Senior Research Scientist and Senior Coordinator, Research and Partnerships

Condensed Matter and Statistical Physics

+39 040 2240 209

scandolo@ictp.it

+39 040 2240 209

scandolo@ictp.it

LB-248

0000-0003-3826-4813

Sandro Scandolo

Senior Coordinator of the ICTP Research Division and member of the CMSP Section. Main area of research: computational modeling of materials at extreme conditions of pressure and temperature

He holds a PhD in Physics from the Scuola Normale Superiore in Pisa, Italy. He was Professor of Condensed Matter Physics at the International School for Advanced Studies in Trieste, Italy, until 2002, and Visiting Research Staff at Princeton University between 2000 and 2002. In 2002 he moved to the ICTP as Senior Scientist in the Condensed Matter and Statistical Physics section. He is an expert in the computational modeling of materials at extreme conditions of pressure and temperature and he is one of the co-founders of the Quantum-Espresso project for the modelling of materials at the nanoscale. His papers have been cited more than 30,000 times (Google Scholar). He has organised more than 40 conferences and workshops and supervised more than 40 postgraduate and PhD students. He is a member of the editorial board of High-Pressure Research, of the scientific advisory board of Psi-k, and of the executive board of the “Lightsources for Americas, Asia, Africa, Middle-East, and Pacific” (LAAAMP) project. He is the Deputy Secretary General of the International Union of Pure and Applied Physics (IUPAP) and Vice-President of the Trieste International Foundation. He was elected Fellow of the American Physical Society in 2016.

Publications

Journal article

2008

X-ray diffraction and computation yield the structure of alkanethiols on gold(111)

Science (2008)

Journal article

2008

Far-infrared absorption of water clusters by first-principles molecular dynamics

The Journal of Chemical Physics (2008)

Scandolo, S. | Kanhere, D. G. | Baletto, F. | Lee, Mal-Soon

Journal article

2008

First-principles investigation of the electron-phonon interaction in OsN(2): Theoretical prediction of superconductivity mediated by N-N covalent bonds

Physical Review B-solid State (2008)

Scandolo, Sandro | Profeta, Gianni | Montoya, Javier A. | Hernandez, Alexander D.

Journal article

2008

Mixed threefold and fourfold carbon coordination in compressed CO2

Physical Review Letters (2008)

Scandolo, Sandro | Gorelli, Federico | Santoro, Mario | Rousseau, Roger | Montoya, Javier A.

Journal article

2008

Temperature-induced densification of compressed SiO2 glass: A molecular dynamics study

High Pressure Research (2008)

Scandolo, Sandro | Miranda, Caetano R. | Liang, Yunfeng

Journal article

2007

Mechanical strength and coordination defects in compressed silica glass: Molecular dynamics simulations

Physical Review B-solid State (2007)

Scandolo, Sandro | Miranda, Caetano R. | Liang, Yunfeng

Journal article

2007

OsN2: Crystal structure and electronic properties

Applied Physics Letters (2007)

Scandolo, Sandro | Gregoryanz, Eugene | Sanloup, Chrystele | Hernandez, Alexander D. | Montoya, Javier A.

Journal article

2007

Competition of charge-density waves and superconductivity in sulfur

Physical Review Letters (2007)

Journal article

2007

Si,C1-xO2 alloys: A possible route to stabilize carbon-based silica-like solids?

Solid State Communications (2007)

Journal article

2007

Finite-temperature effects on the stability and infrared spectra of HCl(H2O)(6) clusters

The Journal of Physical Chemistry A (2007)

Scandolo, S. | Baletto, F. | Rousseau, R. | Lee, M. -S. | Ndongmouo, U. F. T.

Journal article

2007

Structure of a CH3S monolayer on Au(111) solved by the interplay between molecular dynamics calculations and diffraction measurements

Physical Review Letters (2007)

Journal article

2007

First-principles study of density, viscosity, and diffusion coefficients of liquid MgSiO3 at conditions of the Earth's deep mantle

Journal of Geophysical Research: Solid Earth (2007)

Car, R. | Scandolo, S. | Duffy, T. S. | Wan, J. T. K.

Journal article

2007

Tuning oxygen packing in silica by nonhydrostatic pressure

Physical Review Letters (2007)

Scandolo, Sandro | Miranda, Caetano R. | Liang, Yunfeng

Journal article

2007

High-pressure crystalline polyethylene studied by x-ray diffraction and ab initio simulations

Physical Review B-solid State (2007)

Journal article

2006

Amorphous silica-like carbon dioxide

Nature (2006)

Journal article

2006

Infrared and Raman spectra of silica polymorphs from an ab initio parametrized polarizable force field

The Journal of Chemical Physics (2006)

Scandolo, Sandro | Miranda, Caetano R. | Liang, Yunfeng

Journal article

2006

Interfacial electrostatics of self-assembled monolayers of alkane thiolates on Au(111): Work function modification and molecular level alignments

The Journal of Physical Chemistry B (2006)

Journal article

2006

Interstitial dinitrogen makes PtN2 an insulating hard solid

Physical Review B-solid State (2006)

Journal article

2006

Synthesis of novel transition metal nitrides IrN2 and OsN2

Physical Review Letters (2006)

Journal article

2006

A computational study of elastic properties of disordered systems with voids

Journal of Non-Crystalline Solids (2006)

Scandolo, Sandro | Tretiakov, Konstantin V. | Miranda, Caetano R.

Journal article

2005

Exciton self-trapping in bulk polyethylene

Journal of Physics: Condensed Matter (2005)

Journal article

2005

Ab initio theory of planetary materials

Zeitschfrift fur Kristallographie (2005)

Scandolo, S | Price, GD | Oganov, AR

Journal article

2005

Theoretical evidence for a reentrant phase diagram in ortho-para mixtures of solid H-2 at high pressure

Physical Review Letters (2005)

Tosatti, E | Scandolo, S | Hetenyi, B

Journal article

2005

First-principles codes for computational crystallography in the Quantum-ESPRESSO package

Zeitschfrift fur Kristallographie (2005)

Journal article

2005

An effective pseudopotential for modeling gold surface slabs for ab initio simulations

ChemPhysChem (2005)

Scandolo, S | Mazzarello, R | Rousseau, R

Journal article

2005

Metal work-function changes induced by organic adsorbates: A combined experimental and theoretical study

Physical Review Letters (2005)

Journal article

2005

Carbon phase diagram from ab initio molecular dynamics

Physical Review Letters (2005)

Car, R | Scandolo, S | Wang, XF

Journal article

2005

Orientational ordering of ortho-para mixtures of crystals of homonuclear diatomic molecules: Theoretical evidence for reentrance

Journal of Low Temperature Physics (2005)

Tosatti, E | Scandolo, S | Hetenyi, B

Journal article

2005

Computational materials science meets geophysics: dislocations and slip planes of MgO

Computer Physics Communications (2005)

Scandolo, S | Miranda, CR

Journal article

2005

Oxides Under Pressure: from Densified Silica to the Rheology of the Earth's Mantle

Acta Crystallographica Section A: Foundations and Advances (2005)

Scandolo, Sandro

JOINT ICTP-SISSA-UNITS Seminar - The Quantum Mechanical Perfect Fluid

CMSP Seminar (Atomistic Simulation Seminar Series): Supramolecular ass...

JOINT ICTP-SISSA-UNITS Seminar - Confining Strings and the Worldsheet ...

Elettra Users Meeting - NETLINCS NEw Trends in LInear and Non-linear s...

PWF Ivory Coast: Course on Applications of Group Theory in Physics

Hands-On Research in Complex Systems School | (smr 3986)

Sandro Scandolo

Sandro Scandolo

Publications

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