CMSP

Europe/Rome 2021-05-12 15:00:00 2021-05-12 16:00:00 CMSP Seminar (Atomistic Simulation Webinar Series): Inclusion of nuclear quantum effects in vibrational nonlinear spectroscopy The inclusion of nuclear quantum effects in the simulation of multidimensional vibrational spectroscopy of condensed-phase systems is challenging since full quantum-mechanical calculations are still impractical for systems comprising many degrees of freedom. Here, we introduce an approach based on imaginary-time path-integral-based techniques, such as ring- polymer molecular dynamics and centroid molecular dynamics, as a practical way of including nuclear quantum effects in multi-time correlation functions [1-3]. Benchmark calculations on 1D model potentials show that the methodology provide consistent improvement over classical simulations. Additional, we showcase the approach in the simulation of 2D Raman spectroscopy of Lennard-Jones liquids [4]. Our results show that the proposed approach enables simulations of multidimensional optical spectroscopy of condensed-phase systems accounting for nuclear quantum effects.     [1] K. A. Jung, P. E. Videla, Victor S. Batista, J. Chem. Phys. 148, 244105 (2018) [2] K. A. Jung, P. E. Videla, Victor S. Batista, J. Chem. Phys. 151, 034108 (2019) [3] K. A. Jung, P. E. Videla, Victor S. Batista, J. Chem. Phys. 153, 124112 (2020) [4] Z. Tong, P. E. Videla, K. A. Jung, Victor S. Batista, X. Sun, J. Chem. Phys. 153, 034117 (2020) Virtual ICTP pio@ictp.it 12 May 2021

Europe/Rome 2021-05-18 11:00:00 2021-05-18 12:00:00 CMSP Seminar (Joint ICTP/SISSA Statistical Physics): TBA Virtual ICTP pio@ictp.it 18 May 2021

Europe/Rome 2021-05-25 11:00:00 2021-05-25 12:00:00 CMSP Seminar (Joint ICTP/SISSA Statistical Physics): TBA Virtual ICTP pio@ictp.it 25 May 2021

Europe/Rome 2021-05-06 08:00:00 2021-06-03 22:00:00 The Hitchhiker's Guide to Condensed Matter and Statistical Physics: Topological Phenomena in Condensed Matter | (smr 3625) An ICTP Virtual School, 2nd edition The aim of this online school is to sketch a roadmap of current exciting research directions in condensed matter and statistical physics. It will lead the students from basic notions to the open problems in each topic. The lectures will be held once a week, 4 weeks in a row in May and June 2021, each week a new subject. Given the success of the first Hitchhiker's School in January 2021 (smr3589), we continue with the same format. The first series of lectures was dedicated to machine learning and had covered several different aspects of the application of machine learning in condensed matter physics. In this second series, we focus on topological phenomena in condensed matter. What is topology? Does it explain the properties of some unconventional materials? Why is it important for future technologies? The format of the lectures will be the following: - 1h of basic notions relevant for the subject, including Questions and Answers session. - 15 min break - 1h of colloquia style lecture, that will start with the basics and bring the student to the set of open problems in the topic. Speakers: B.A. BERNEVIG, Princeton, USA C. CASTELNOVO, Cambridge, UK C. CHAMON, Boston, USA Y. GEFEN, Weizmann, Israel Registration: There is no registration fee. Online - ICTP pio@ictp.it 6 May 2021 - 3 Jun 2021

Europe/Rome 2021-05-24 08:00:00 2021-05-28 22:00:00 Workshop on Physics and Chemistry of Solid/Liquid Interfaces for Energy Conversion and Storage | (smr 3577) An ICTP virtual meeting The purpose of the online workshop is to bring together scientists working on the characterization of electrochemical interfaces at the atomistic level, and developing characterization methods, to discuss developments, current challenges, and perspectives. The workshop is dedicated to the characterization of electrochemical interfaces by means of advanced experimental and theoretical techniques.   The focus will be on the understanding at atomic level of interface structure and stability, charge dynamics and charge transfer, chemical adsorption and reactivity. Space will be devoted to advances in interface-sensitive characterization techniques. Consequences of the progress in the field will be discussed in the context of applications to catalysis, energy conversion and storage, and environmental remediation.  Topics: Atomic structure of electrochemical interfaces  Charge dynamics and charge transfer Electrochemical reactions at interfaces Interface-sensitive experimental techniques  Computer simulations of electrochemical interfaces  Speakers: ​A. BIEBERLE-HÜTTER, DIFFER, the Netherlands K. CAMPEN, Fritz Haber Institute, Germany K. CHAN, Technical University of Denmark, Denmark J. CHENG, Xiamen University, China  T. CUK, University of Colorado Boulder, USA   J.R. DURRANT, Imperial College London, UK   A. GROSS, University of Ulm, Germany   J. LIBUDA, University Erlangen-Nürnberg, Germany   D. PRENDERGAST, Lawrence Berkeley National Laboratory, USA   R. SCHLÖGL, Fritz Haber Institute, Germany M. SPRIK, University of Cambridge, UK  P. STRASSER, TU Berlin, Germany   M. TODOROVA, MPI for Iron Research, Germany   F.M. TOMA, Lawrence Berkeley National Laboratory, USA R. VAN DE KROL, Helmholtz Zentrum Berlin, Germany Registration: There is no registration fee.   Online - ICTP pio@ictp.it 24 May 2021 - 28 May 2021

Europe/Rome 2021-05-31 08:00:00 2021-06-11 22:00:00 6th African School on Electronic Structure Methods and Applications (ASESMA-2021) | (smr 3578)  - - -  ONLINE APPLICATIONS ARE OPEN UNTIL 15 MAY 2021 - - -   * * * The African School series on Electronic Structure Methods and Applications (ASESMA) is planned on a biennial basis since 2010. Previous schools were held in Cape Town, South Africa (2010), Eldoret, Kenya (2012), Johannesburg, South Africa (2015), Accra, Ghana (2016), and Addis Ababa, Ethiopia (2018). In 2021, ASESMA will be held as an ICTP Virtual school. The aim of the School is to introduce young African researchers and students to the theory of electronic structure and other atomistic simulation methods, with an emphasis on the computational methods for practical calculations. The School will cover introductory concepts such as: electronic structure theory, density functional theory and functionals, phonons, magnetism, enhanced sampling methods in molecular dynamics, ab-initio molecular dynamics, etc. It will also cover more advanced topics and applications of these methods to the structural, mechanical and optical properties of materials, and to the properties of biological systems. The School will include hands-on tutorial sessions based on public license codes (including, but not limited to, the "Quantum Espresso" package). During the second week students will be asked to split up in teams and work on specific projects under the guidance of the lecturers and mentors. LIST OF LECTURERS George Amolo, The Technical University of Kenya Michele Ceriotti, EPFL Lausanne, Switzerland Matteo Gatti, Ecole Polytechnique ETSF Palaiseau, France Javier Junquera, Universidad de Cantabria, Santander, Spain Ryo Maezono, JAIST, Japan Neepa Maitra, Rutgers University, Newark, USA Nisha Mammen, JYU University of Jyväskylä, Finland Giacomo Melani, UZH University of Zürich, Switzerland Lucia Reining, Ecole Polytechnique ETSF Palaiseau, France Natasa Stojic, ICTP Trieste, Italy   * * *   - - -  DEADLINE FOR APPLICATION: 15 MAY 2021  - - -   Online - ICTP pio@ictp.it 31 May 2021 - 11 Jun 2021

Europe/Rome 2021-09-06 08:00:00 2021-09-10 22:00:00 ICTP-SISSA-CECAM Workshop on Molecular Dynamics and its Applications to Biological Systems | (smr 3627) Online - ICTP pio@ictp.it 6 Sep 2021 - 10 Sep 2021