CECAM-MARVEL Classics in molecular and materials modeling

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. The lectures are followed by an interview: we ask our guests to recall for us the period, problems, people and circumstances that accompanied the creation of milestone methods and algorithms that we now routinely use. \n\nJoin us to share this exciting opportunity to learn first-hand from our pioneers and get to know better the genesis of work that is now recorded in 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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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Datasets in the Collection

Thumbnail of 10: Methods for computational biology and drug discovery
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. The lectures are followed by an interview: we ask our guests to recall for us the period, problems, people and circumstances that accompanied the creation of milestone methods and algorithms that we now routinely use.
Created on Jun 10, 2024
Thumbnail of 9: Time-dependent density functional theory: past, present and future
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.
Created on Nov 16, 2023
Thumbnail of 8: Dynamical mean-field theory
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. The lectures are followed by an interview: we ask our guests to recall for us the period, problems, people and circumstances that accompanied the creation of milestone methods and algorithms that we now routinely use.

Join us to share this exciting opportunity to learn first-hand from our pioneers and get to know better the genesis of work that is now recorded in 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Created on Apr 13, 2023
Thumbnail of 7: Simulation methods for spin glasses with applications in optimization
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Created on Apr 13, 2023
Thumbnail of 1: Molecular dynamics under (holonomic) constraints
First lecture in the series "Classics in molecular and materials modeling". The lecture is followed by an interview with the speakers conducted by Dr. Sara Bonella, deputy 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Created on Apr 13, 2023
Thumbnail of 2: Car-Parrinello molecular dynamics
Second lecture in the series "Classics in molecular and materials modeling", hosted by CECAM and MARVEL at EPFL. This lecture by Roberto Car (Princeton University) and Michele Parrinello (ETHZ) is followed by an interview with the speakers conducted by Giulia Galli (University of Chicago).
Created on Apr 13, 2023
Thumbnail of 3: Berry phases in condensed matter physics
Third event in the series "Classics in molecular and materials modeling", hosted by CECAM and MARVEL at EPFL. 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.

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. 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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Created on Apr 13, 2023
Thumbnail of 4: Free-energy of solids: origins and consequences of the 1983 CECAM workshop
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Created on Apr 13, 2023
Thumbnail of 5: Fluid phase equilibria by computer simulations
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Created on Apr 13, 2023
Thumbnail of 6: Ab initio studies of electronic excitations using many-body perturbation theory
More information and full abstracts:
https://nccr-marvel.ch/events/classics-reining-louie-godby
https://www.cecam.org/lecture-details/ab-initio-studies-electronic-excitations-using-many-body-perturbation-theory[slides][{"0":"00:00:00.040","1":"00:02:04.840","2":"6437baa6e4b05f9898d76942","3":"0.04","isRemoved":false},{"0":"00:02:04.840","1":"00:04:27.200","2":"6437baa7e4b05f9898d76945","3":"124.84","isRemoved":false},{"0":"00:04:27.200","1":"00:06:02.680","2":"6437baa7e4b05f9898d76948","3":"267.2","isRemoved":false},{"0":"00:06:02.680","1":"00:06:59.200","2":"6437baa7e4b05f9898d7694e","3":"362.68","isRemoved":false},{"0":"00:06:59.200","1":"00:08:38.720","2":"6437baa7e4b05f9898d76951","3":"419.2","isRemoved":false},{"0":"00:08:38.720","1":"00:09:52.840","2":"6437baa7e4b05f9898d76954","3":"518.72","isRemoved":true},{"0":"00:09:52.840","1":"00:10:47.240","2":"6437baa8e4b05f9898d76957","3":"592.84","isRemoved":true},{"0":"00:10:47.240","1":"00:11:55.160","2":"6437baa8e4b05f9898d7695a","3":"647.24","isRemoved":true},{"0":"00:11:55.160","1":"00:12:40.120","2":"6437baa8e4b05f9898d7695d","3":"715.16","isRemoved":false},{"0":"00:12:40.120","1":"00:13:31.600","2":"6437baa8e4b05f9898d76965","3":"760.12","isRemoved":false},{"0":"00:13:31.600","1":"00:15:04.520","2":"6437baa8e4b05f9898d76968","3":"811.6","isRemoved":false},{"0":"00:15:04.520","1":"00:18:39.720","2":"6437baa8e4b05f9898d7696b","3":"904.52","isRemoved":false},{"0":"00:18:39.720","1":"00:21:33.800","2":"6437baa8e4b05f9898d7696e","3":"1119.72","isRemoved":false},{"0":"00:21:33.800","1":"00:22:35.320","2":"6437baa9e4b05f9898d76971","3":"1293.8","isRemoved":false},{"0":"00:22:35.320","1":"00:24:09.640","2":"6437baa9e4b05f9898d76974","3":"1355.32","isRemoved":false},{"0":"00:24:09.640","1":"00:27:12.400","2":"6437baa9e4b05f9898d7697e","3":"1449.64","isRemoved":false},{"0":"00:27:12.400","1":"00:29:11.800","2":"6437baa9e4b05f9898d76981","3":"1632.4","isRemoved":false},{"0":"00:29:11.800","1":"00:31:38.520","2":"6437baa9e4b05f9898d76984","3":"1751.8","isRemoved":false},{"0":"00:31:38.520","1":"00:33:00.240","2":"6437baa9e4b05f9898d76987","3":"1898.52","isRemoved":false},{"0":"00:33:00.240","1":"00:34:01.360","2":"6437baa9e4b05f9898d7698a","3":"1980.24","isRemoved":false},{"0":"00:34:01.360","1":"00:35:09.080","2":"6437baa9e4b05f9898d7698d","3":"2041.36","isRemoved":false},{"0":"00:35:09.080","1":"00:36:54.320","2":"6437baaae4b05f9898d76990","3":"2109.08","isRemoved":false},{"0":"00:36:54.320","1":"00:37:53.400","2":"6437baaae4b05f9898d76993","3":"2214.32","isRemoved":false},{"0":"00:37:53.400","1":"00:38:31.800","2":"6437baaae4b05f9898d76996","3":"2273.4","isRemoved":false},{"0":"00:38:31.800","1":"00:39:25.080","2":"6437baaae4b05f9898d76999","3":"2311.8","isRemoved":false},{"0":"00:39:25.080","1":"00:40:25.600","2":"6437baaae4b05f9898d769a6","3":"2365.08","isRemoved":false},{"0":"00:40:25.600","1":"00:41:19.040","2":"6437baaae4b05f9898d769a9","3":"2425.6","isRemoved":false},{"0":"00:41:19.040","1":"00:42:06.400","2":"6437baaae4b05f9898d769ac","3":"2479.04","isRemoved":false},{"0":"00:42:06.400","1":"00:42:46.240","2":"6437baaae4b05f9898d769af","3":"2526.4","isRemoved":false},{"0":"00:42:46.240","1":"00:43:16.560","2":"6437baaae4b05f9898d769b2","3":"2566.24","isRemoved":false},{"0":"00:43:16.560","1":"00:43:38.160","2":"6437baaae4b05f9898d769b5","3":"2596.56","isRemoved":false},{"0":"00:43:38.160","1":"00:52:12.600","2":"6437baaae4b05f9898d769b8","3":"2618.16","isRemoved":false},{"0":"00:52:12.600","1":"00:53:15.560","2":"6437baabe4b05f9898d769bb","3":"3132.6","isRemoved":true},{"0":"00:53:15.560","1":"00:53:43.560","2":"6437baabe4b05f9898d769be","3":"3195.56","isRemoved":true},{"0":"00:53:43.560","1":"00:54:10.400","2":"6437baabe4b05f9898d769c1","3":"3223.56","isRemoved":true},{"0":"00:54:10.400","1":"00:54:42.840","2":"6437baabe4b05f9898d769c4","3":"3250.4","isRemoved":true},{"0":"00:54:42.840","1":"00:55:35.920","2":"6437baabe4b05f9898d769d2","3":"3282.84","isRemoved":true},{"0":"00:55:35.920","1":"00:56:16.720","2":"6437baabe4b05f9898d769d5","3":"3335.92","isRemoved":false},{"0":"00:56:16.720","1":"00:57:17.000","2":"6437baabe4b05f9898d769d8","3":"3376.72","isRemoved":false},{"0":"00:57:17.000","1":"00:58:44.440","2":"6437baabe4b05f9898d769db","3":"3437.0","isRemoved":false},{"0":"00:58:44.440","1":"00:59:06.320","2":"6437baabe4b05f9898d769de","3":"3524.44","isRemoved":false},{"0":"00:59:06.320","1":"00:59:49.080","2":"6437baabe4b05f9898d769e1","3":"3546.32","isRemoved":false},{"0":"00:59:49.080","1":"01:00:18.320","2":"6437baabe4b05f9898d769e4","3":"3589.08","isRemoved":false},{"0":"01:00:18.320","1":"01:00:50.160","2":"6437baace4b05f9898d769e7","3":"3618.32","isRemoved":false},{"0":"01:00:50.160","1":"01:01:10.600","2":"6437baace4b05f9898d769ea","3":"3650.16","isRemoved":false},{"0":"01:01:10.600","1":"01:01:58.360","2":"6437baace4b05f9898d769ed","3":"3670.6","isRemoved":false},{"0":"01:01:58.360","1":"01:02:33.920","2":"6437baace4b05f9898d769f0","3":"3718.36","isRemoved":false},{"0":"01:02:33.920","1":"01:02:57.960","2":"6437baace4b05f9898d769fe","3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Created on Apr 13, 2023

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