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

2024

First-principles description of solid oxygen in the gigapascal pressure scale using the DFT+vdW+U approach

Physical Review B (2024)

M.-B. Attaiaa | M. Micoulaut | S. Klotz | S. Scandolo

Journal article

2024

Competing Phases of Iron at Earth's Core Conditions From Deep‐Learning‐Aided ab‐initio Simulations

Geophysical Research Letters (2024)

Zhi Li | Sandro Scandolo

Journal article

2024

Deep-learning interatomic potential for iron at extreme conditions

Physical Review B (2024)

Zhi Li | Sandro Scandolo

Journal article

2022

How to determine solubility in binary mixtures from neutron scattering data: The case of methane and water

The Journal of Chemical Physics (2022)

Journal article

2021

Raman frequencies of diamond under non-hydrostatic pressure

Applied Physics Letters (2021)

Sandro Scandolo

Journal article

2021

Two-state model for critical points and the negative slope of the melting curve

Physical Review B (2021)

Sandro Scandolo

Journal article

2021

Free electron to electride transition in dense liquid potassium

Nature Physics (2021)

Sandro Scandolo

Journal article

2020

Ab initio Determination of the Phase Diagram of CO2 at High Pressures and Temperatures

Physical Review Letters (2020)

Sandro Scandolo

Journal article

2020

High-pressure transformations in liquid rubidium

Physical Review Materials (2020)

Journal article

2020

Squeezing Oil into Water under Pressure: Inverting the Hydrophobic Effect

The Journal of Physical Chemistry Letters (2020)

Sandro Scandolo

Journal article

2019

Ab initio study of the LiH phase diagram at extreme pressures and temperatures

Physical Review B (2019)

Scandolo, Sandro | Mauri, Francesco | Calandra, Matteo | Errea, Ion | Biswas, Sananda

Journal article

2019

Machine learning provides realistic model of complex phase transition

Proceedings of the National Academy of Sciences (2019)

Scandolo, Sandro

Journal article

2018

Growing Materials Science in Africa - The Case of the African School for Electronic Structure Methods and Applications (ASESMA)

MRS Advances (2018)

Journal article

2018

Phase diagram of oxygen at extreme pressure and temperature conditions: An ab initio study

Physical Review B (2018)

Montoya, Javier A. | Scandolo, Sandro | Biswas, Sananda | Cogollo-Olivo, Beatriz H.

Journal article

2018

Density Functional Theory Study of Water Photo-Oxidation at Copper Oxide Nanostructures on the Anatase (101) Surface

The Journal of Physical Chemistry C (2018)

Seriani, Nicola | Scandolo, Sandro | Amolo, George | Makau, Nicholas | Meng'wa, Victor

Journal article

2018

FAST training programme at synchrotron facilities by IUPAP-IUCr LAAAMP project

Acta Crystallographica Section A: Foundations and Advances (2018)

Scandolo, Sandro | Mtingwa, Sekazi K. | Zema, Michele

Journal article

2017

Multiple pathways in pressure-induced phase transition of coesite

Proceedings of the National Academy of Sciences (2017)

Journal article

2017

Polymeric carbon dioxide at high pressures

Abstracts of Papers of the American Chemical Society (2017)

Scandolo, Sandro

Journal article

2017

Ab lnitio Simulations of Copper Oxide Nanowires and Clusters on TiO2 (101) Anatase Surface

The Journal of Physical Chemistry C (2017)

Seriani, Nicola | Scandolo, Sandro | Amolo, George | Makau, Nicholas | Meng'wa, Victor

Journal article

2017

Titania-silica mixed oxides investigated with density functional theory and molecular dynamics simulations

Physica Status Solidi (B) (2017)

Scandolo, Sandro | Pinilla, Carlos | Seriani, Nicola

Journal article

2017

An atomistic model of MgSiO3 perovskite and post-perovskite phases

Computational Materials Science (2017)

Scandolo, S. | Seriani, N. | Acuna-Rojas, M. | Pinilla, C.

Journal article

2016

Pressure Dependence of Hydrogen-Bond Dynamics in Liquid Water Probed by Ultrafast Infrared Spectroscopy

Journal of Physical Chemistry Letters (2016)

Journal article

2015

Decomposition of methane hydrates at high pressure: a density-fuctional theory study

High Pressure Research (2015)

Scandolo, Sandro | Adhikari, Narayan Prasad | Pantha, Nurapati

Journal article

2015

Atomistic pathways of the pressure-induced densification of quartz

Physical Review B (2015)

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

Journal article

2014

Microscopic mechanisms of the pressure-induced amorphization of SiO2

Acta Crystallographica Section A: Foundations and Advances (2014)

Miranda, Caetano | Liang, Yunfeng | Scandolo, Sandro

Journal article

2014

Structure and Dynamics of Low-Density and High-Density Liquid Water at High Pressure

Journal of Physical Chemistry Letters (2014)

Journal article

2014

Theoretical X-ray absorption near-edge structure signatures of solid and liquid phases of iron at extreme conditions

High Pressure Research (2014)

Scandolo, S. | Raji, A. T.

Journal article

2014

Ab-initio calculation of formation and migration energies of intrinsic defects in BaF2

Solid State Communications (2014)

Amolo, G. O. | Makau, N. W. | Scandolo, S. | Nyawere, P. W. O.

Journal article

2014

Collective spin 1 singlet phase in high-pressure oxygen

Proceedings of the National Academy of Sciences (2014)

Tosatti, Erio | Scandolo, Sandro | Fabrizio, Michele | Crespo, Yanier

Journal article

2014

Connecting the Water Phase Diagram to the Metastable Domain: High-Pressure Studies in the Supercooled Regime

Journal of Physical Chemistry Letters (2014)

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14 Nov 2022

CMSP Postdoctoral Positions

ICTP seeks applications for Postdoctoral positions starting Fall 2023 from outstanding young scientists of any nationality with a strong research record.

With about 50 academic members (faculty, visitors, postdocs and graduate students), an intense programme of workshops and conferences,…

14 Nov 2022

Colloquium on Basic Sciences for Sustainable Development: a Global Perspective and a Year of Celebrations

The United Nations General Assembly proclaimed 2022 as the International Year of Basic Sciences for Sustainable Development (IYBSSD). In a planet torn apart by conflicts and inequalities and on the verge of an environmental crisis, basic science is emerging as a universal language and a powerful…