Sandro Scandolo

Permanent Scientific Staff
Senior Research Scientist and Senior Coordinator, Research and Partnerships
Sandro Scandolo
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
2012
A Molecular Dynamics Study of the Role of Adatoms in SAMs of Methylthiolate on Au(111): A New Force Field Parameterized from Ab Initio Calculations
The Journal of Physical Chemistry C (2012)
Scandolo, Sandro | Bhattacharya, Somesh Kr. | Longo, Gabriel S.
Journal article
2012
Ab initio parameterization of an all-atom polarizable and dissociable force field for water
The Journal of Chemical Physics (2012)
Scandolo, Sandro | Seriani, Nicola | Irani, Amir H. | Pinilla, Carlos
Journal article
2012
High-pressure phases of crystalline tellurium: A combined Raman and ab initio study
Physical Review B-solid State (2012)
Postorino, P. | Scandolo, S. | Degiorgi, L. | Petrillo, C. | Di Castro, D. | Lavagnini, M. | Chermisi, D. | Marini, C.
Journal article
2012
Partially collapsed cristobalite structure in the non molecular phase V in CO2
Proceedings of the National Academy of Sciences (2012)
Scandolo, Sandro | Montoya, Javier A. | Levelut, Claire | Cambon, Olivier | Haines, Julien | Bini, Roberto | Gorelli, Federico A. | Santoro, Mario
Journal article
2012
Titania-Silica Interfaces
The Journal of Physical Chemistry C (2012)
Scandolo, S. | De Vita, A. | Cereda, S. | Pinilla, C. | Seriani, N.
Journal article
2011
Dislocation properties of coesite from an ab-initio parametrized interatomic potential
Physical Review B-solid State (2011)
Cordier, P. | Scandolo, S. | Carrez, P. | Giacomazzi, L.
Journal article
2011
Far-infrared spectrum of ice Ih: A first-principles study
Physical Review B-solid State (2011)
Scandolo, S. | Profeta, G.
Journal article
2011
Intrinsic defects and krypton impurity atoms in hcp titanium: A first-principles study
Physical Review B (2011)
Britton, David. T. | Haerting, Margit | Nsengiyumva, Schadrack | Scandolo, Sandro | Mazzarello, Riccardo | Raji, Abdulrafiu T.
Journal article
2011
Mixtures of planetary ices at extreme conditions
Nature Communications (2011)
Scandolo, Sandro | Lee, Mal-Soon
Journal article
2011
Structural properties and phase transitions in a silica clathrate
The Journal of Chemical Physics (2011)
Scandolo, Sandro | Christie, Jamieson K. | Miranda, Caetano R. | Ogundare, Folorunso O. | Liang, Yunfeng
Journal article
2011
Defects in ion-implanted hcp-titanium: A first-principles study of electronic structures
Solid State Communications (2011)
Britton, David T. | Haerting, Margit | Nsengiyumva, Schadrack | Scandolo, Sandro | Mazzarello, Riccardo | Raji, Abdulrafiu T.
Journal article
2010
Polarizable interatomic force field for TiO2 parametrized using density functional theory
Physical Review B-solid State (2010)
Tangney, P. | Scandolo, S. | Christie, J. K. | Mueller-Krumbhaar, H. | Dederichs, P. H. | Bergqvist, L. | Han, X. J.
Journal article
2010
CCl4 dissociation on the ice I-h surface: an excess electron mediated process
Physical Chemistry Chemical Physics (2010)
Scandolo, Sandro | Baletto, Francesca | Diep, Vinh P. | Finn, James M. | Bhattacharya, Somesh Kr.
Journal article
2010
FIRST-PRINCIPLES MOLECULAR DYNAMICS AND APPLICATIONS IN PLANETARY SCIENCE
Nanotechnological Basis for Advanced Sensors (2010)
Scandolo, Sandro
Journal article
2010
Gypsum under pressure: A first-principles study
Physical Review B-solid State (2010)
Scandolo, Sandro | Giacomazzi, Luigi
Journal article
2010
High-pressure vibrational properties of polyethylene
The Journal of Chemical Physics (2010)
Scandolo, Sandro | Vinh, Diep Q. | Bini, Roberto | Santoro, Mario | Fontana, Luca
Journal article
2010
Material progress in Africa
Nature Physics (2010)
Scandolo, Sandro | Martin, Richard M. | Chetty, Nithaya
Journal article
2009
Magnetism and vibrations in the phase epsilon of oxygen
Solid State Communications (2009)
Scandolo, S. | Gebauer, R. | Pham, T. Anh
Journal article
2009
A Dynamic Landscape from Femtoseconds to Minutes for Excess Electrons at Ice-Metal Interfaces
The Journal of Physical Chemistry C (2009)
Wolf, M. | Rubio, A. | Zhu, X. -Y. | Scandolo, S. | Baletto, F. | Meyer, M. | Bockstedte, M. | Staehler, J. | Gahl, C. | Bovensiepen, U.
Journal article
2009
Melting slope of MgO from molecular dynamics and density functional theory
The Journal of Chemical Physics (2009)
Scandolo, Sandro | Tangney, Paul
Journal article
2009
Ab initio pseudopotential study of vacancies and self-interstitials in hcp titanium
Philosophical Magazine (2009)
Britton, David Thomas | Haerting, Margit | Nsengiyumva, Schadrack | Mazzarello, Riccardo | Scandolo, Sandro | Raji, Abdulrafiu Tunde
Journal article
2009
QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials
Journal of Physics Condensed Matter (2009)
Giannozzi, P. | Baroni, S. | Bonini, N. | Calandra, M. | Car, R. | Cavazzoni, C. | Ceresoli, D. | Chiarotti, G.L. | Cococcioni, M. | Dabo, I. | Dal Corso, A. | De Gironcoli, S. | Fabris, S. | Fratesi, G. | Gebauer, R. ...
Journal article
2009
Ab initio study of Kr in hcp Ti: Diffusion, formation and stability of small Kr-vacancy clusters
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms (2009)
Britton, D. T. | Haerting, M. | Nsengiyumva, S. | Mazzarello, R. | Scandolo, S. | Raji, A. T.
Journal article
2009
Thermodynamic stability of layered structures in compressed CO2
Physical Review B (2009)
Scandolo, Sandro | Montoya, Javier A. | Lee, Mal-Soon
Journal article
2009
High-pressure polymeric phases of carbon dioxide
Proceedings of the National Academy of Sciences (2009)
Tosatti, Erio | Scandolo, Sandro | Lee, Mal-Soon | Montoya, Javier Antonio | Martonak, Roman | Klug, Dennis D. | Sun, Jian
Journal article
2009
Infrared absorption of MgO at high pressures and temperatures: A molecular dynamic study
The Journal of Chemical Physics (2009)
Scandolo, Sandro | Miranda, Caetano R. | Liang, Yunfeng | Adebayo, Gboyega A.
Preprint
2008
First-principles investigation of the electron-phonon interaction in OsN$_2$: Theoretical prediction of superconductivity mediated by N-N covalent bonds
Alexander D. Hernández | Javier A. Montoya | Gianni Profeta | Sandro Scandolo
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

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