CECAM-MARVEL

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.[order][{"id":"6666f359e4b07f52ff92c00c","name":"10: Methods for computational biology and drug discovery","description":"","created":"Mon Jun 10 12:36:41 UTC 2024","thumbnail":"6668328fe4b07f52ff92d4ea","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62dfafa8e4b0cc21d437dcea","5a79b568e4b05cb28bae3f60"],"resource_type":"dataset"},{"id":"6555ec60e4b0c3a3247b3cb7","name":"9: Time-dependent density functional theory: past, present and future","description":"Eberhard Gross (Hebrew University of Jerusalem) and Angel Rubio (Max Planck Institute for the Structure and Dynamics of Matter) will give a joint lecture on \"Time-dependent density functional theory (TDDFT)\", in what will be the ninth event in the series \"Classics in molecular and materials modelling\" hosted by CECAM and MARVEL.\n","created":"Thu Nov 16 10:18:08 UTC 2023","thumbnail":"6555fd09e4b0c3a3247b3df1","authorId":"649ad15af7aa6e15fad92ed5","spaces":["62dfafa8e4b0cc21d437dcea"],"resource_type":"dataset"},{"id":"6437a18be4b05f9898d7576b","name":"8: Dynamical mean-field theory","description":"In this series, methods that have become fundamental tools in computational physics and chemistry are presented by their originators at a level appropriate for master and graduate students. 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In this joint lecture, David Vanderbilt (Rutgers University) and Raffaele Resta (IOM-CNR Democritos, Trieste) discuss \"Berry phases in condensed matter physics\". The lecture is followed by a historical perspective and an interview / Q&A, with a surprise guest appearance by Prof. Richard Martin.\n\nIn this series, methods that have become fundamental tools in computational physics and chemistry are presented by their originators at a level appropriate for master and graduate students. The lectures are followed by an interview with the presenters: we ask them to recall for us the period, problems, people and circumstances that accompanied the creation of milestone methods and algorithms that we now routinely 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