MARVEL seminars and tutorials

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]

Datasets in the Collection

Thumbnail of MARVEL Communication open mic session - Nicola Nosengo
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 on Nov 27, 2023
Thumbnail of Thermal phonon transport for energy applications - Zhiting Tian
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 on Nov 27, 2023
Thumbnail of Michael F. Herbst - Julia for Materials Modelling
The Julia programming language has emerged in the past years as an
alternative to the traditional python / Fortran / C++ mix in scientific
computing. Being both compiled and high-level it attracts a remarkably
broad user base covering computer scientists, mathematicians and
application scientists in physics, biology, medicine and many more. With
respect to the multidisciplinary field of atomistic materials modelling
I will provide a short overview of the current state of Julia codes and
provide perspectives for using Julia in this field.
Created on Nov 27, 2023
Thumbnail of Tony Paxton: Introduction to the tight binding approximation. Lecture 2, Applications
Recorded on August 13, 2015.

“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."

In 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.

In 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 on Nov 27, 2023
Thumbnail of Tony Paxton: Introduction to the tight binding approximation. Lecture 1, Theory
Recorded on August 11, 2015.

“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."

In 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.

In 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 on Nov 27, 2023
Thumbnail of Marco Fornari: Structuring intuition with theory: The high-throughput way
Recorded on May 31, 2017.

This 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 on Nov 27, 2023
Thumbnail of Chris Pickard: Random search as high throughput computation
Recorded on May 30, 2017.

This 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 on Nov 27, 2023
Thumbnail of Stefano Sanvito: High-throughput electronic structure theory: do we need to calculate everything? Materials Cloud 2.93K subscribers
Recorded on May 30, 2017.

This 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 on Nov 27, 2023
Thumbnail of Thomas Bligaard: Accelerating high-throughput simulations using machine learning methods
Recorded on May 29, 2017.

This 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 on Nov 27, 2023
Thumbnail of MARVEL seminar on Open Science and Open Access
Recorded on 17 June 2021.
Created on Nov 15, 2023

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