MARVEL events

A collection of seminars and tutorial courses sponsored by NCCR MARVEL, given by invited lecturers on selected topics in materials science.[order][{"id":"6554d044e4b0c3a3247b2999","name":"MARVEL seminar on Open Science and Open Access","description":"Recorded on 17 June 2021.","created":"Wed Nov 15 14:05:56 UTC 2023","thumbnail":"655f4ecfe4b0c3a3247bdaa1","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62dfafa8e4b0cc21d437dcea"],"resource_type":"dataset"},{"id":"65645f9be4b0c3a3247c2f4f","name":"Thomas Bligaard: Accelerating high-throughput simulations using machine learning methods","description":"Recorded on May 29, 2017.\n\nThis highlight talk was originally given at the MARVEL/MaX/Psi-k Tutorial on “High-throughput computations: general methods and applications using AiiDA”, held on May 29 to 31, 2017 at EPFL. \n","created":"Mon Nov 27 09:21:31 UTC 2023","thumbnail":"656461d2e4b0c3a3247c3011","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62dfafa8e4b0cc21d437dcea"],"resource_type":"dataset"},{"id":"65645fe7e4b0c3a3247c2f69","name":"Stefano Sanvito: High-throughput electronic structure theory: do we need to calculate everything? Materials Cloud 2.93K subscribers","description":"Recorded on May 30, 2017.\n\nThis highlight talk was originally given at the MARVEL/MaX/Psi-k Tutorial on “High-throughput computations: general methods and applications using AiiDA”, held on May 29 to 31, 2017 at EPFL. ","created":"Mon Nov 27 09:22:47 UTC 2023","thumbnail":"65646458e4b0c3a3247c30c9","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62dfafa8e4b0cc21d437dcea"],"resource_type":"dataset"},{"id":"65645fffe4b0c3a3247c2f7b","name":"Chris Pickard: Random search as high throughput computation","description":"Recorded on May 30, 2017.\n\nThis highlight talk was originally given at the MARVEL/MaX/Psi-k Tutorial on “High-throughput computations: general methods and applications using AiiDA”, held on May 29 to 31, 2017 at EPFL.","created":"Mon Nov 27 09:23:11 UTC 2023","thumbnail":"6564673be4b0c3a3247c32eb","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62dfafa8e4b0cc21d437dcea"],"resource_type":"dataset"},{"id":"65646019e4b0c3a3247c2f84","name":"Marco Fornari: Structuring intuition with theory: The high-throughput way","description":"Recorded on May 31, 2017.\n\nThis highlight talk was originally given at the MARVEL/MaX/Psi-k Tutorial on “High-throughput computations: general methods and applications using AiiDA”, held on May 29 to 31, 2017 at EPFL. ","created":"Mon Nov 27 09:23:37 UTC 2023","thumbnail":"65646925e4b0c3a3247c334f","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62dfafa8e4b0cc21d437dcea"],"resource_type":"dataset"},{"id":"6564603fe4b0c3a3247c2f9c","name":"Tony Paxton: Introduction to the tight binding approximation. Lecture 1, Theory","description":"Recorded on August 11, 2015.\n\n“I would like to give a very personal account of the old and established tight binding approximation. Over the decades since 1954 this method comes in and out of fashion. In one year (1980) Volker Heine wrote \"From Under a Cloud to out in the Sun\". In 1985 he told me I was crazy to be doing it! P. W. Anderson first condemned the theory and then praised it. All along the quantum chemists have been using it under other names. It is probably the simplest quantum mechanical scheme that can account for bond breaking. In 1998 Mike Finnis and I invented the \"self consistent polarisable-ion tight binding model\" and 2008 we discovered \"magnetic tight binding.\"\n\nIn the first lecture I will go over the theory, and in particular make contact where possible with the now very familiar density functional theory. I will finish with a brief mention of \"time dependent tight binding\" which was invented by Tchavdar Todorov.\n\nIn the second lecture I will give examples of its application from my own very recent research. I will talk about aqueous systems, and about carbon and hydrogen in iron and steel.”","created":"Mon Nov 27 09:24:15 UTC 2023","thumbnail":"65646b11e4b0c3a3247c346c","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62dfafa8e4b0cc21d437dcea"],"resource_type":"dataset"},{"id":"6564605ce4b0c3a3247c2fb0","name":"Tony Paxton: Introduction to the tight binding approximation. Lecture 2, Applications","description":"Recorded on August 13, 2015.\n\n“I would like to give a very personal account of the old and established tight binding approximation. Over the decades since 1954 this method comes in and out of fashion. In one year (1980) Volker Heine wrote \"From Under a Cloud to out in the Sun\". In 1985 he told me I was crazy to be doing it! P. W. Anderson first condemned the theory and then praised it. All along the quantum chemists have been using it under other names. It is probably the simplest quantum mechanical scheme that can account for bond breaking. In 1998 Mike Finnis and I invented the \"self consistent polarisable-ion tight binding model\" and 2008 we discovered \"magnetic tight binding.\"\n\nIn the first lecture I will go over the theory, and in particular make contact where possible with the now very familiar density functional theory. I will finish with a brief mention of \"time dependent tight binding\" which was invented by Tchavdar Todorov.\n\nIn the second lecture I will give examples of its application from my own very recent research. I will talk about aqueous systems, and about carbon and hydrogen in iron and steel.”","created":"Mon Nov 27 09:24:44 UTC 2023","thumbnail":"65646d4ee4b0c3a3247c35a5","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62dfafa8e4b0cc21d437dcea"],"resource_type":"dataset"},{"id":"65646075e4b0c3a3247c2fc3","name":"Michael F. Herbst - Julia for Materials Modelling","description":"The Julia programming language has emerged in the past years as an \nalternative to the traditional python / Fortran / C++ mix in scientific \ncomputing. Being both compiled and high-level it attracts a remarkably \nbroad user base covering computer scientists, mathematicians and \napplication scientists in physics, biology, medicine and many more. With \nrespect to the multidisciplinary field of atomistic materials modelling \nI will provide a short overview of the current state of Julia codes and \nprovide perspectives for using Julia in this field.","created":"Mon Nov 27 09:25:09 UTC 2023","thumbnail":"6564709de4b0c3a3247c36d9","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62dfafa8e4b0cc21d437dcea"],"resource_type":"dataset"},{"id":"6564608de4b0c3a3247c2fd2","name":"Thermal phonon transport for energy applications - Zhiting Tian","description":"This MARVEL seminar will be given by Zhiting Tian, Associate Professor at Cornell University. She will be giving a presentation entitled: \"Thermal Phonon Transport for Energy Applications\".","created":"Mon Nov 27 09:25:33 UTC 2023","thumbnail":"6564742de4b0c3a3247c37de","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62dfafa8e4b0cc21d437dcea"],"resource_type":"dataset"},{"id":"656460b1e4b0c3a3247c2fe4","name":"MARVEL Communication open mic session - Nicola Nosengo","description":"Nicola Nosengo joined MARVEL in April 2023 as our new communication officer. He prepares and coordinates the highlights and feature stories of the NCCR, organizes news coverage, follows up with the social media, and helps making sure your own research is disseminated widely.","created":"Mon Nov 27 09:26:09 UTC 2023","thumbnail":"6564773ce4b0c3a3247c38bd","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62dfafa8e4b0cc21d437dcea"],"resource_type":"dataset"}][endorder]

A series sponsored by NCCR MARVEL, bringing high-profile researchers in contact with the MARVEL community.

The Mary Ann Mansigh Conversation series focuses of non-strictly technical topics of cultural interest for the simulation and modelling community. The format reflects the informative and informal nature of these sessions, with talks introducing the subject followed by a conversation between the speakers and the audience.[order][{"id":"66503b84e4b08465bc3424b3","name":"Science writing and science editing - from journals to journalism","description":"CECAM and MARVEL present a new event in our Mary Ann Mansigh Conversation series. In a discussion with Nature Physics editor Nina Meinzer and former Nature/Chemistry World news editor Mark Peplow, we will explore how scientific editing and scientific journalism work, how they are being transformed by new technologies, how young scientists can learn to better interact with editors and writers - or become editors and writers themselves. ","created":"Fri May 24 07:02:28 UTC 2024","thumbnail":"665044e2e4b08465bc3425e7","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62dfafa8e4b0cc21d437dcea","5a79b568e4b05cb28bae3f60"],"resource_type":"dataset"},{"id":"648ad5a9e4b03bae712e38ec","name":"Fascination and industrial value of materials modeling","description":"Understanding ! the marvelous complexity of nature is a deeply human desire, and to this end modeling is a uniquely powerful tool. Starting from this view, this lecture will revolve around an aspect of high actuality, namely energy. Moving from a society burning fossil fuels and thereby destroying our vulnerable environment to solutions that are sustainable and realistic, is perhaps one of the biggest technological and societal challenges of the 21st century. By discussing specific examples including metal alloys and polymers, batteries, electronic devices, and CO2 capture. This lecture will show how modeling and simulations are applied in a wide range of length and time scales, supporting the path to better and sustainable technologies. With deeply founded theoretical concepts, highly efficient algorithms in sophisticated computer programs, and unprecedented compute power, never before had humans such fascinating tools in their hands. Thus, materials modeling creates industrial value and it satisfies our human desire for understanding the processes that form and transform materials around us.\n\nErich Wimmer is co-founder, Chief Scientific Officer, and Chairman of the Board of Materials Design. He has initiated major software development programs, organized industrial consortia, and leads research efforts to create industrial value through computational chemistry and materials science. Dr. Wimmer is author and co-author of over 130 scientific publications and has given numerous lectures 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Long before Microsoft and Apple and at a time when computers were big and expensive machines largely unknown to the general public, the Olivetti industries presented the Programma 101, the world’s first desktop computer.\n\nInnovative technological solutions and a sleek design made the Programma 101 an instant hit: specialists and public alike queued to see it, the New York Times, Wall Street Journal and several other American newspaper hailed it as a revolution, more than 40.000 pieces were sold worldwide to universities, banks, hospitals, small businesses…\n\n…And then what happened? Why don’t we all own an Olivetti laptop today? Some say it’s the nature of the market, some say that it is a spy story. We hope you will find it interesting food for thought.\n\nCECAM and MARVEL invite you to (re)discover the machine that transformed the specifications and the look and feel of calculators, opening the path to our modern laptops. With the help of two invited speakers, we shall explore the cultural environment that fostered the development of Programma 101 and learn more about its technical characteristics. Along the way, we shall meet Pier Giorgio Perotto - the father of this little marvel - and a young team of developers in the Electronic Division at Olivetti, and get to know Adriano Olivetti, an unusual industrialist who thought that profit could not be achieved without houses, libraries and social security for his employees or without schools and playgrounds for their children.\n\nOur guests and speakers for this conversation are Beniamino de’ Liguori Carino, Foundation Adriano Olivetti, and Pierpaolo Perotto, Finsa – Technology for People. As you will discover, for them this story is, also, a family 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Mary Ann's long collaboration with Berni Alder at Lawrence Livermore National Laboratory was instrumental for establishing molecular dynamics as a key tool to study condensed matter systems. The event was introduced by a presentation on the early days of computer simulations in condensed matter physics by former CECAM director Prof. Michel Mareschal.\n\nBelow are the videos of the two parts of the event.\n\nPart 2: A conversation between Mary Ann Mansigh Karlsen and Daan Frenkel (University of Cambridge, UK). Insights on her fascinating story and her experiences as a coder at Livermore over a period of almost thirty years, providing a unique point of view on the scientific and technological development of computer simulation from the early days of molecular dynamics in the late 1950, to the mid 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Jun 15 09:00:31 UTC 2023","thumbnail":"648b2b10e4b03bae712e55a3","authorId":"6218c1087c5ca1bb51509d98","spaces":["5a79b568e4b05cb28bae3f60","62dfafa8e4b0cc21d437dcea"],"resource_type":"dataset"},{"id":"648ad2c1e4b03bae712e1e64","name":"Almost famous, a woman behind the codes Part I","description":"On November 15 2017, CECAM and NCCR MARVEL invited a truly outstanding representative of the first generation of coders, Mary Ann Mansigh Karlsen, to share her recollections of those pioneering efforts. Mary Ann's long collaboration with Berni Alder at Lawrence Livermore National Laboratory was instrumental for establishing molecular dynamics as a key tool to study condensed matter systems. The event was introduced by a presentation on the early days of computer simulations in condensed matter physics by former CECAM director Prof. Michel Mareschal.\n\nBelow are the videos of the two parts of the event.\n\nPart 1: It's only numerics: an introduction to the early days of computer simulation by Michel 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Jun 15 08:58:41 UTC 2023","thumbnail":"648bdbb6e4b03bae712e7055","authorId":"6218c1087c5ca1bb51509d98","spaces":["5a79b568e4b05cb28bae3f60","62dfafa8e4b0cc21d437dcea"],"resource_type":"dataset"},{"id":"648ace96e4b03bae712e0e8e","name":"Computer modelling for industrial applications","description":"In this conversation, Massimo Noro, formerly at Unilever and current Business Development Director at Daresbury labs, will discuss with Prof. William Curtin, EPFL, and with the audience the relevance of simulation for industry and his role as the leader of an important computing facility that interacts directly with industry. This conversation will offer insight on how to promote and facilitate industrial use of simulation and modelling, and will allow us to meet a “living example” of a carrier path for simulators outside 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A series of lectures and interviews, dedicated to some of the pioneering contributions in the field of molecular and materials simulations.