I - 34151 Trieste Italy

*(+39) 040 2240 111*

*pio@ictp.it*

Contacts:

With about 30 members, an intense programme of workshops, a constant flow of visitors, and close collaborations with local scientific institutions such as SISSA, Elettra, and the University of Trieste, the Condensed Matter and Statistical Physics (CMSP) section is a vibrant international research environment for scientists from every corner of the world.

Research in the CMSP section spans some of the most exciting areas of theoretical condensed matter physics, including the physics of nanostructures, of many-body quantum systems at, or far from equilibrium, the computer simulations of fluids and solids with atomistic, molecular and electronic structure methods, and the design of new materials for renewable energy applications.

19 Nov 2021

Alumna reflects on 30-year career in science

29 Oct 2021

Starting Fall 2022; apply by December 2021 deadlines

20 Aug 2021

We congratulate all the students with their success and wish them all the best in their future careers.

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Europe/Rome
2021-12-07 11:00:00
2021-12-07 12:00:00
CMSP Seminar (Joint ICTP/SISSA Statistical Physics): Web models as generalizations of statistical loop models
Augustin Lafay
(ENS, Paris)
Two dimensional gases of non intersecting loops have been a subject of study in mathematical physics for more than thirty years because of their numerous connections to integrability, two dimensional conformal field theory, random geometry and combinatorics. In this talk, I will present a natural generalization of loop models to gases of graphs possessing branchings. These graphs are called webs and first appeared in the mathematical community as diagrammatic presentations of categories of representations of quantum groups. The web models posses properties similar to the loop models. For instance, it will be shown that they describe, for some tuning of the parameters, interfaces of spin clusters in Zn spin models. Focusing on the numerically more accessible case of Uq(sl3) webs (or Kuperberg webs), it is possible to identify critical phases that are analogous to the dense and dilute phases of the loop models. These phases are then described by a Coulomb Gas with a two component bosonic field.
Hybrid seminar: Virtual and SISSA room 134
ICTP
pio@ictp.it
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7 Dec 2021

» CMSP Seminar (Joint ICTP/SISSA Statistical Physics): Web models as generalizations of statistical loop models

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Europe/Rome
2021-12-15 11:00:00
2021-12-15 12:00:00
CMSP Seminar (Atomistic Simulation Webinar Series): Density-functional theory with extended Hubbard functionals: recent developments and applications
Density-functional theory (DFT) with extended Hubbard functionals is a powerful method for studying complex materials containing transition-metal and rare-earth elements, owing to its accuracy in correcting self-interactions and its low computational costs [1]. There are two key elements in these formulations which are closely interconnected: i) the choice of the on-site U and inter-site V Hubbard parameters, and ii) the choice of the Hubbard manifold. Recently, we developed an automated and reliable approach for the first-principles determination of U and V using density-functional perturbation theory (DFPT) [2,3]. In this talk I will show that DFPT allows us to reduce significantly computational costs, improve numerical accuracy, and fully automate the calculation of the Hubbard parameters by recasting the linear response of a localized perturbation in supercells into an array of monochromatic perturbations that can be calculated in the primitive cell. This framework can be used with different Hubbard manifolds, such as nonorthogonalized and orthogonalized atomic orbitals, including the respective calculation of Pulay (Hubbard) forces and stresses [4] that are needed for the self-consistent evaluation of Hubbard parameters [3]. I will show how this formalism can be used for the evaluation of such properties as voltages in Li-ion batteries, formation energies of oxygen vacancies in perovskites, and I will discuss the applicability of this formalism for improving band gaps with respect to standard DFT [5] and its use for searching of novel materials for the photocatalytic water splitting [6]. Finally, I will present the extension of this framework to the calculations of phonons [7] and electron-phonon coupling [8] in selected transition-metal compounds. These tools are implemented in the open-source Quantum ESPRESSO distribution [9] and are available to the community at large.
[1] V.L. Campo Jr and M. Cococcioni, J. Phys.: Condens. Matter. 22, 055602 (2010).
[2] I. Timrov, N. Marzari, M. Cococcioni, Phys. Rev. B 98, 085127 (2018).
[3] I. Timrov, N. Marzari, M. Cococcioni, Phys. Rev. B 103, 045141 (2021).
[4] I. Timrov, F. Aquilante, L. Binci, M. Cococcioni, N. Marzari, Phys. Rev. B 102, 235159 (2020).
[5] N.E. Kirchner-Hall, W. Zhao, Y. Xiong, I. Timrov, I. Dabo, Appl, Sci. 11, 2395 (2021).
[6] Y. Xiong et al., Energy Environ. Sci. 14, 2335 (2021).
[7] A. Floris, I. Timrov, B. Himmetoglu, N. Marzari, S. de Gironcoli, M. Cococcioni, Phys. Rev. B 101, 064305 (2020).
[8] J.-J. Zhou, J. Park, I. Timrov, A. Floris, M. Cococcioni, N. Marzari, M. Bernardi, Phys. Rev. Lett. 127, 126404 (2021).
[9] P. Giannozzi et al., J. Phys.: Condens. Matter 29, 465901 (2017).
Registration details will be announced closer to the seminar date.
Virtual
ICTP
pio@ictp.it
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15 Dec 2021

» CMSP Seminar (Atomistic Simulation Webinar Series): Density-functional theory with extended Hubbard functionals: recent developments and applications

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Europe/Rome
2021-12-06 12:50:00
2021-12-17 21:00:00
School on Synchrotron Light Sources and their Applications | (smr 3611)
An ICTP Virtual Meeting
The School will introduce young scientists to the design, operation, and research opportunities offered at a modern synchrotron light source and how such sources are realized.
The school will be held over two weeks and will consist of three modules: (1) the physical aspects concerning the design and function of the main components: accelerators, insertion devices and beamline optics (2) an overview of the arguments that can be made in order to fund and build a synchrotron light source, including socioeconomic benefit, stakeholder engagement, communication (3) Overview of common synchrotron light techniques including synchrotron infrared techniques and XANES/EXAFS.
Topics:
Fundamentals of synchrotron radiation from storage rings
Fundamentals of X-ray interactions with matter
Design and operation of storage rings
Beamline design: Photon transport and optics
Bending magnets and insertion devices
Project management at a large facility
Ancillary devices for light sources
Socioeconomic justification
Cultural heritage
Stakeholder engagement/communications
Starting up user operations at a new facility
Industrial Applications
IR microscopy
Basics of X-ray crystallography and powder diffraction
Basics of structural biology
Fundamentals of X-ray absorption: EXAFS and XANES
XRF, TXRF, GXRF and their applications in materials and life sciences
Tomography
Speakers:
M. ALTISSIMO, Elettra Sincrotrone Trieste, Italy
R. BARTOLINI, DESY, Germany
K. CHAPELLE, American Museum of Natural History, USA
T. D'ALMEIDA, X-TechLab, Benin
S. DI MITRI, Elettra Sincrotrone Trieste, Italy
A. FROIDEVAL, Helmholtz Zentrum Dresden-Rossendorf, Germany
J. GILLIES, CERN, Switzerland
M. HARFOUCHE, SESAME, Jordan
G. IORI, SESAME, Jordan
K. JAKATA, ESRF, France
G. KAMEL, SESAME, Jordan
L.U. KHAN, SESAME, Jordan
K. KIEFER, Helmholtz Zentrum Berlin, Germany
A. LAUSI, SESAME, Jordan
F. LEHNER, DESY, Germany
K. LORENTZ, Cyprus Institute, Cyprus
G. MARGARITONDO, EPFL, Switzerland
A. MIGLIORI, IAEA, Austria
E. MITCHELL, ESRF, France
G. SANTONI, ESRF, France
K. TOUKAN, SESAME, Jordan
N. VALLS, ALBA Synchrotron, Spain
A. VOLLMER, Helmholtz Zentrum Berlin, Germany
Registration: there is no registration fee.
Online -
ICTP
pio@ictp.it
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6 Dec 2021
- 17 Dec 2021

» School on Synchrotron Light Sources and their Applications | (smr 3611)

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