ICTP - Forthcoming Activities

Forthcoming Activities

To see a list of all ICTP activities, see the Centre's Scientific Calendar.

Showing 8 records

Europe/Rome Tjaart Krüger (University of Pretoria, South Africa) Abstract: Photosynthetic light-harvesting complexes have to balance two vital functions: efficient light harvesting and efficient energy dissipation. The former occurs under low levels of solar radiation, during which the absorbed photoenergy is converted into chemical energy with near-unity quantum efficiency. The latter, finely tuned photoprotective function serves to safely remove excess absorbed energy to limit photodamage. The nature of both functions is a subject of intense research. The light-harvesting proteins commonly coordinate numerous chromophores in a dense arrangement, resulting in complex, coupled energy-transfer mechanisms. Consequently, transitions between the light-harvesting and photoprotective functions often involve only subtle protein conformational changes, i.e., the population equilibrium between different conformational states of light-harvesting proteins is often very sensitive to the protein’s local environment. Single-molecule spectroscopy uniquely allows one to monitor protein functional switches in real time, to explore the protein conformational landscapes, and to unravel the underlying photophysical processes. In this webinar I will show how the intrinsic disorder of photosynthetic proteins is regulated by their local environments, allowing them to switch between different light-harvesting and photoprotective states. The unstable equilibrium between different functional states can be finely tuned by the incident photon flux1, pH2, chromophore arrangement3, and interaction with accessory proteins4. Examples of environmentally controlled conformational switching, as assessed by single-molecule spectroscopy, will be given for light-harvesting complexes of plants, cyanobacteria, and diatoms. References Gwizdala et al. J Am Chem Soc 138 (36): 11616-11622 (2016). Krüger et al. Biophys J 102: 2669–2676 (2012). Krüger et al. Proc Natl Acad Sci USA, 108:13516-13521 (2011); Krüger et al. Proc Natl Acad Sci USA 114: E11063-E11071 (2017). Gwizdala et al. J Phys Chem Lett 9:2426-2432 (2018). Zoom registration link will be soon announced. Virtual Seminar ICTP pio@ictp.it

Seminar

5 Oct 2022

@ Virtual Seminar

Condensed Matter and Statistical Physics

CMSP Seminar (Atomistic Simulation Webinar Series): Single-molecule spectroscopy of photosynthetic light-harvesting complexes

Room: via Zoom

Speaker(s): Tjaart Krüger (University of Pretoria, South Africa)

Seminar Start Time: 11:00

Europe/Rome Johannes Lischner (Imperial College London) Abstract: Beautiful moiré patterns can be created by stacking and twisting two-dimensional crystals, such as graphene or transition metal dichalcogenides. One of the most fascinating discoveries in recent years is that electrons are strongly affected by these moiré patterns and often exhibit completely unexpected behaviour. For example, twisted bilayer graphene – composed of two (semi-)metallic graphene layers – was observed to exhibit correlated insulator states as well as superconductivity at a magic twist angle of 1.1 degrees. In my talk, I will describe my group’s efforts to understand the electronic properties of moiré materials from an atomistic perspective which is challenging because of the large unit cells in these systems (often containing thousands of atoms). To overcome this difficulty, we developed accurate tight-binding models and then incorporate the effects of electron-electron interactions. Based on the atomistic simulations, we also construct effective moiré-scale Hubbard-like models to describe the behaviour at large length scales. Light Refreshments will be served at the end of the Seminar at 17:00 on the terrace of the Leonardo Building Zoom registration link will follow in due time. Hybrid Seminar ICTP pio@ictp.it

Seminar

13 Oct 2022

@ Hybrid Seminar

Condensed Matter and Statistical Physics

CMSP Seminar (News&Views series): Electrons in moiré materials: from atomistic calculations to effective models

Room: Room B (Leonardo Building) + Zoom

Speaker(s): Johannes Lischner (Imperial College London)

Seminar Start Time: 16:00

Europe/Rome Eran SELA (Tel Aviv University) Abstract: Recently, entropy measurements of quantum dots were demonstrated based on charge sensitivity. These experiments require temperature variations, and extract entropy changes due to gate voltage variations using Maxwell relations. In addition to describing ongoing experimental puzzles, I will discuss new directions that these methods open, such as measurements of fractional entropy in frustrated Kondo systems, in fractional quantum Hall states, and the possibility to detect a decoherence induced phase transition in quantum dots. Zoom registration link will follow in due time. Hybrid Seminar ICTP pio@ictp.it

Seminar

20 Oct 2022

@ Hybrid Seminar

Condensed Matter and Statistical Physics

CMSP Seminar: How to measure entropy in mesoscopic systems?

Room: Room B (Leonardo Building) + Zoom

Speaker(s): Eran SELA (Tel Aviv University)

Seminar Start Time: 09:00

Europe/Rome Matteo LOSTAGLIO (PsiQuantum Ltd, U.K.) Abstract: I will give a pedagogical introduction to quantum algorithms, with a focus on prototypical quantum chemistry problems such as predicting electronic structures and simulating quantum dynamics. I will overview how a fault-tolerant quantum computer can be used to solve these problems. Time permitting, I will review recent progress on quantum signal processing techniques, which allow to solve linear algebra problems on a quantum computer. Zoom registration link will follow in due time. Hybrid Seminar ICTP pio@ictp.it

Seminar

24 Oct 2022

@ Hybrid Seminar

Condensed Matter and Statistical Physics

CMSP Seminar: An introduction to quantum chemistry algorithms

Room: Euler Lecture Hall + Zoom

Speaker(s): Matteo LOSTAGLIO (PS1 Quantum Ltd, U.K.)

Seminar Start Time: 11:00

Europe/Rome Yusuf Shaidu (University of California & Lawrence Berkeley National Laboratory) Abstract: The Mg2(dobpdc) is a metal organic framework (MOF) made up of Mg metal ions connected via a dobpdc4- (dobpdc4-= 4,4'-dihydroxy-(1,1'-biphenyl)-3,3'-dicarboxylic acid) organic molecule to form a hexagonal porous material along the c crystallographic axis. The diamine-functionalized variant of Mg2(dobpdc) has been demonstrated as a transformative material for carbon capture applications. The functionalized materials form carbamate species upon CO2 insertion and exhibit cooperative adsorption mechanisms leading to a step-shaped isotherm that enables a full CO2 capacity to be accessed with a minimal temperature swing[1]. Thermal properties, CO2 adsorption kinetics and mechanisms of CO2 insertion are understudied due to the complexity of the materials. Finite temperature simulations of these materials are prohibitively costly because of the large number of atoms in a unit cell. Previous studies have been based on empirical force-fields whose parameters are not optimized to reproduce the density functional theory (DFT) energies and forces of these systems. Here, we present our work on the development of a reactive interatomic potential based on neural network techniques for amine-appended Mg2(dobpdc) systems. The neural network potentials (NNPs) belong to a class of reactive force-fields that allow to simulate bond breaking and formation which are prevalent during a finite temperature dynamics. The interatomic potentials here are constructed using the active learning approach combining the artificial neural network approaches and dispersion-corrected DFT. We show that the NNPs are accurate in predicting adsorption energy, mechanical, vibrational and thermal properties. In addition, we demonstrate that these potentials can be combined with a simulated annealing approach to find better starting structures for DFT energy minimization needed to compute CO2 binding energy. Authors: Yusuf Shaidu1,2, Alex Smith1,2, Eric Taw2,3 and Jeffrey B. Neaton1,2,4 1Physics Department, University of California, Berkeley, California, United States. 2Lawrence Berkeley National Laboratory, Berkeley, California, United States. 3Chemical and Biomolecular Engineering, University of California, Berkeley, California, United States. 4Kavli Energy NanoScience Institute, Berkeley, California, United States. References: [1] McDonald, T., Mason, J., Kong, X. et al. Nature 519, 303–308 (2015). [2] Yusuf Shaidu et al. Accurate Neural Network Interatomic Potentials for Carbon Capture in Amine-appended Metal-organic Frameworks (In preparation) Zoom registration link will follow in due time. Virtual Seminar ICTP pio@ictp.it

Seminar

2 Nov 2022

@ Virtual Seminar

Condensed Matter and Statistical Physics

CMSP Seminar (Atomistic Simulation Webinar Series): Accurate Neural Network Interatomic Potentials for Carbon Capture in Amine-appended Metal-organic Frameworks

Room: via Zoom

Speaker(s): Yusuf Shaidu (University of California & Lawrence Berkeley National Laboratory)

Seminar Start Time: 17:00

Activity

11 Jan 2023 - 13 Jan 2023

@ ICTP

Condensed Matter and Statistical Physics

21th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods | (smr 3814)

Address: Strada Costiera, 11 I - 34151 Trieste (Italy)

Room: Budinich Lecture Hall (LB)

Secretary: Monica Petronela Ancuta, Viktoriya Lvova, Adriana Pinto

Organizer(s): Silke BIERMANN (Ecole Polytechnique, France), Francesco MAURI (Universita` La Sapienza, Italy), Tanusri SAHA-DASGUPTA (S. N. Bose Centre for Basic Sciences, India), Nicola SERIANI (ICTP, Italy), Local Organiser: Nicola Seriani (ICTP)

Cosponsor(s): Quantum ESPRESSO Foundationqef

Support E-Mail: smr3814@ictp.it

**DEADLINE: 21/10/2022**

Activity

23 Jan 2023 - 3 Feb 2023

@ Online -

Condensed Matter and Statistical Physics

School on Synchrotron Light Sources and their Applications | (smr 3815)

Room: Online

Secretary: Monica Petronela Ancuta, Viktoriya Lvova, Adriana Pinto

Organizer(s): Binggeli Nadia (ICTP), Scandolo Sandro (ICTP), Lausi Andrea (SESAME (Synchrotron-light for Experimental Science and Applications in the Middle East)P.O. Box 7, Allan 19252, Jordan), Mohamed Gihan Salah Kamel Badie (SESAME), Mitchell Edward (ESRF), Connell Simon H. (University of Johannesburg, AFLS), Mtingwa Sekazi Kauze (TriSEED Consultants), Zema Michele (International Union of Crystallography IUCr), Lorentz Kirsi O. (The Cyprus Institute), OZTURK Ozgul (University of Siegen), Swainson Ian Peter (IAEA), Local Organiser: Nadia Binggeli (ICTP)

Support E-Mail: smr3815@ictp.it

Activity

13 Mar 2023 - 24 Mar 2023

@ Santiago - Chile

Condensed Matter and Statistical Physics

Conference and Advanced School on Low-Dimensional Quantum Systems | (smr 3820)

Secretary: Monica Petronela Ancuta, Viktoriya Lvova, Adriana Pinto

Organizer(s): Principi Alessandro (The University of Manchester), A. Núñez Álvaro (Universidad de Chile), Gornyi Igor (KIT Karlsruhe), Arrachea Liliana (UNSAM, Argentina), Foa Torres Luis (Universidad de Chile Facultad de Ciencias Fisicas y Matematicas Departamento de Fisica), Mikhail KISELEV (ICTP), Rosario FAZIO (ICTP), ICTP Scientific Contact: Mikhail Kiselev (ICTP)

Support E-Mail: smr3820@ictp.it

ICTP - Strada Costiera, 11
I - 34151 Trieste Italy
(+39) 040 2240 111
pio@ictp.it

ICTP is governed by UNESCO, IAEA, and Italy, and is a UNESCO Category 1 Institute

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Forthcoming Activities

Seminar

Condensed Matter and Statistical Physics

CMSP Seminar (Atomistic Simulation Webinar Series): Single-molecule spectroscopy of photosynthetic light-harvesting complexes

Seminar

Condensed Matter and Statistical Physics

CMSP Seminar (News&Views series): Electrons in moiré materials: from atomistic calculations to effective models

Seminar

Condensed Matter and Statistical Physics

CMSP Seminar: How to measure entropy in mesoscopic systems?

Seminar

Condensed Matter and Statistical Physics

CMSP Seminar: An introduction to quantum chemistry algorithms

Seminar

Condensed Matter and Statistical Physics

CMSP Seminar (Atomistic Simulation Webinar Series): Accurate Neural Network Interatomic Potentials for Carbon Capture in Amine-appended Metal-organic Frameworks

Activity

Condensed Matter and Statistical Physics

21th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods | (smr 3814)

Activity

Condensed Matter and Statistical Physics

School on Synchrotron Light Sources and their Applications | (smr 3815)

Activity

Condensed Matter and Statistical Physics

Conference and Advanced School on Low-Dimensional Quantum Systems | (smr 3820)

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HECAP

CMSP

MATH

ESP

STI

QLS

New Research Areas

CMSP

Condensed Matter and Statistical Physics

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Forthcoming Activities

Seminar

Condensed Matter and Statistical Physics

CMSP Seminar (Atomistic Simulation Webinar Series): Single-molecule spectroscopy of photosynthetic light-harvesting complexes

Seminar

Condensed Matter and Statistical Physics

CMSP Seminar (News&Views series): Electrons in moiré materials: from atomistic calculations to effective models

Seminar

Condensed Matter and Statistical Physics

CMSP Seminar: How to measure entropy in mesoscopic systems?

Seminar

Condensed Matter and Statistical Physics

CMSP Seminar: An introduction to quantum chemistry algorithms

Seminar

Condensed Matter and Statistical Physics

CMSP Seminar (Atomistic Simulation Webinar Series): Accurate Neural Network Interatomic Potentials for Carbon Capture in Amine-appended Metal-organic Frameworks

Activity

Condensed Matter and Statistical Physics

21th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods | (smr 3814)

Activity

Condensed Matter and Statistical Physics

School on Synchrotron Light Sources and their Applications | (smr 3815)

Activity

Condensed Matter and Statistical Physics

Conference and Advanced School on Low-Dimensional Quantum Systems | (smr 3820)

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