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Webinar: The Great Acceleration in the Design and Discovery of Novel Materials

Event Details:

  • Date:          Tuesday, 23 November 2021
  • Time:         Starts: 16:00
  • Venue:       Live streaming of the discussion will be available on Zoom (Password: VsSCz1).
  • Speaker:    Prof. Nicola Marzari, Chair of Theory and Simulation of Materials, École Polytechnique Fédérale de Lausanne (Switzerland)

CyI Logo      CaSToRC HPC


 CaSToRC, HPC National Competence Centre
 invites you to the EuroCC and SimEA Online Seminar Series

The webinar will be in English and the live stream is open to the public.
Live streaming of the discussion will be available on Zoom (Password: VsSCz1).
Images and/or recordings of our open public events may be used by The Cyprus Institute for dissemination purposes including print and digital media such as websites, press-releases, social media, and live streaming.




Materials are at the core of our technological advances, and are needed to address many of our societal challenges: from energy to information, from food to medicine. Prof. Marzari will highlight the great strides made in the last few years in the design and discovery of novel materials, where computational simulations can now precede, streamline, or accelerate experiments. This acceleration is driven by the central paradigm of computational science (doubling performance every 14-16 months), combined with powerful and predictive quantum simulation techniques, and by the convergence of data mining and machine learning towards materials simulations.

He will also underscore the IT requirements needed to perform calculations in a reproducible, shareable, high-throughput mode. Case studies will be the computational exfoliation of all known inorganic materials, leading to ~3,500 promising candidates, for which he will discuss highlights for quantum spin Hall insulators and superconductors, and the search for novel solid-state Li-ion electrolytes


About the Speaker

Nicola Marzari

Nicola Marzari holds the chair of Theory and Simulation of Materials at the École Polytechnique Fédérale de Lausanne (Switzerland), where he is also the director of the Swiss National Centre for Competence in Research on Computational Design and Discovery of Novel Materials (NCCR MARVEL), and heads the Laboratory for Materials Simulations at the Paul Scherrer Institut (Villigen, Switzerland).

His research is dedicated to the development and application of first-principles simulations to understand, predict, and design the properties and performance of novel materials and devices. Core development interests during the years have been electronic-structure algorithms, electronic and thermal transport, and first-principles electrochemistry; applications cover materials discovery, materials for energy, functional materials, 2D materials, and materials and devices for information-and communications technologies.

Previous tenured appointments include the Toyota Chair for Materials Processing at the Massachusetts Institute of Technology and the first Statutory Chair of Materials Modelling at the University of Oxford, where he was also the director of the Materials Modelling Laboratory. He is the past chairperson of the Psi-k Charity and Board of Trustees, and holds an Excellence Chair at the University of Bremen (Germany).




Download the Autumn 2021 Online EuroCC & SimEA Seminar Series Programme here.

EuroCC Simea Seminar Series 2 


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Additional Info

  • Date: Tuesday, 23 November 2021
  • Time: Starts: 16:00
  • Speaker: Prof. Nicola Marzari, Chair of Theory and Simulation of Materials, École Polytechnique Fédérale de Lausanne (Switzerland)

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