Predicting materials and device structure by Materials Theory tools, Computation, & Design
By Prof. EL Mehdi Salmani, Faculty of Science, Mohammed V University, Rabat, Morocco. Presented in #IRSEC20 - 8th International Renewable and ...
MSTI Events
X-ray spectroscopy of materials
Debye colloquium Frank de Groot: X-ray spectroscopy of materials.
Faculty of Science Utrecht University
Fundamentals of Quantum Chemistry - Lecture 1
This four-part lecture series provide basic theoretical frameworks for quantum chemistry at the undergraduate level. These lectures would be useful to those who ...
Thanh N. Truong
Density Functional Theory, part. 2/2 - PISACMS 2015
Density Functional Theory, part. 2/2 Par Marco SAITTA de l'Institut de minéralogie, de physique des matériaux et de cosmochimie - UPMC - CNRS.
LabEx MATISSE
The importance of being H.P.C. Earnest - June 18 2020
The relevance and impact of High Performance Computing (HPC) on simulation and modeling can be quite different depending on the specific area, but we are ...
Cecam Channel
ChemPhysChem/ChemSystemsChem Joint Virtual Symposium: Computational Chemistry
Chemistry Europe Virtual Symposia connect the leading minds in the chemical sciences and bring cutting-edge research directly to you. The editorial teams of ...
ChemistryViews
Nano-Scale Engineering Guided by the Time-Dependent Density Functional Th...
2010/6/2 Osaka,G-COE Nano-Scale Engineering Guided by the Time-Dependent Density Functional Theory , Y.Miyamoto , Green lnnovation Res. Labs.NEC.
慶應義塾Keio University
HPC Online Lectures on Quantum Computational Materials Science: Day 2 - Part 1
Abstract: The HPC School on Quantum Computational Materials Science was scheduled be held in Singapore from 16-20 November 2020. Due to travel ...
Centre for Quantum Technologies
Webinar: Computer-accelerated materials design
Energy Futures Lab's weekly research webinars are delivered by staff and students from across Imperial College London and further afield. In this webinar ...
Energy Futures Lab
Materials Design at SCALE through Automation & Machine Learning
Prof Ong gave a plenary talk titled "Materials Design at SCALE through Automation & Machine Learning" at the NCI and Intersect Showcase on AI and ML in ...
Materials Virtual Lab
29. Modern Electronic Structure Theory: Electronic Correlation
This lecture covers information about modern electronic structure theory. Ways of computing the energy and computational chemistry tools are discussed.
MIT OpenCourseWare
APSCol Real100715
Presentation: Bioinorganic Spectroscopy: Activation Metal Sites for Biological Electron Transfer Date: October 7, 2015 Presenter: Edward I. Solomon, Stanford ...
AdvancedPhotonSource
Introduction to Electron Spin Part 2
I discuss some more complicated examples of determining electron spin: transition-metal complexes, and diradicals. I also explain what an open-shell singlet is, ...
David Sherrill
Органическая электроника. Проф. Варшавского технологического университета А.Прон.
Открытая лекция профессора Варшавского технологического университета Адама Прона в Омском Государственном Техническом университете в ...
ОмГТУ
Avogadro with ORCA Tutorial: UV-Vis calculation
ORCA TUTORIAL: computing excited states 1) CREATE INPUT TO COMPUTE UV-VIS 2) ANALYZE OUTPUT 3) WHAT ARE THE TRANSITIONS ...
IaNiusha
Chemistry 107. Inorganic Chemistry. Lecture 11
Description: This course is an introduction to modern inorganic chemistry. Topics include principles of structure, bonding, and chemical reactivity with application ...
UCI Open
Van Horn Lecture Series: The Materials Genome and the Transformation of Materials Science Part 2
Title: Van Horn Lecture Series: The Materials Genome and the Transformation of Materials Science Through Ab-initio Computing Part 2 Date: April 10, 2019.
Case Western Reserve University
Richard Hennig: "Machine-learning for materials and physics discovery through symbolic regressio..."
Machine Learning for Physics and the Physics of Learning 2019 Workshop I: From Passive to Active: Generative and Reinforcement Learning with Physics ...
Institute for Pure & Applied Mathematics (IPAM)
Quantum Chemical Methods
10. Juni 2009: Prof. Frank Neese, Sprecher des Sonderforschungsbereiches 813, "Chemie an Spinzentren. Konzepte Mechanismen Funktionen", eröffnete den ...
Universität Bonn
Ideas that Matter | Episode 8 : Devil in the Details
Julia Winter and Professor Roberto Peverati discuss computational chemistry labs. Visit our website for more information on the Podcast: ...
Alchemie
Органическая электроника. Лекция 2. проф. Варшавского технологического университета А. Прон
ОмГТУ
(3) Frank Wennmohs, „Introduction to ORCA program system“
Introduction to ORCA. Installation, first calculation, and how to analyze the results. Useful calculation advice.
Max Planck Society Lectures
L30, Claudia Draxl, Excited states and BSE
Hands-on Workshop Density-Functional Theory and Beyond: Accuracy, Efficiency and Reproducibility in Computational Materials Science, Humboldt University, ...
fhitheory
Hautier: Finding the Needle in the Haystack (Jones Seminar)
Finding the needle in the haystack: materials discovery through high-throughput ab initio computing and data mining.” Jones Seminar on Science, Technology, ...
Dartmouth Engineering
Separating Components of a Mixture by Extraction
When we perform a chemical reaction, we are usually trying to get a particular molecule. But when we are done with the reaction, there will probably be a bunch ...
Professor Dave Explains
General demonstration of Materials Studio 6.1. Dr Marc Meunier, Accelrys
ICM University of Warsaw
Molecular Nanostructures With Unusual Electronic And Optical Properties - Professor Harry Anderson
"The dream of building integrated circuits from single-molecule electronic components has been discussed since the 1970s, as the ultimate in miniaturisation.
Chemical and Physical Society
Chemical Sciences | D4S10 22/35 TDDFT: Simulating, analyzing and controlling... - EKU Gross
Celebrating the 70th birthday of the State of Israel The Israel Academy of Sciences and Humanities cordially invites you to a conference on The Grand ...
The Israel Academy of Sciences and Humanities
Lecture 01
Chemical Applications of Symmetry and Group Theory
Professor Alberto Salleo: Materials Science at Stanford: The beginning of the next century
Stanford University School of Engineering
Prof Clare Grey: Challenges in Designing New Batteries and Supercapacitators for Low Carbon Economy
Cheaper and more efficient/effective ways to convert and store energy are required to reduce CO2 emissions. Batteries, supercapacitors and fuel cells will play ...
Trinity College Science Society
Session 5: Oral Session 2
Session 5: Oral Session 2 The Second International Conference on Molecular Modeling and Spectroscopy.
Science Cafe
IV CINE-CMSC: Mailde S. Ozório
Doutoranda do Instituto de Química de São Carlos – USP, membro do Grupo QTNano – Juarez L. F. Da Silva, vinculada ao programa CINE - Computational ...
Cine Energy
IR spectroscopy of InOrganic Complexes & Backbonding
CSIR-GATE Chemistry
High throughput calculations: from DFT to GW
High throughput calculations: from DFT to GW Speaker: Michiel Van Setten (IMEC, Belgium) 2020_01_28-11_30-smr3421.
ICTP Condensed Matter and Statistical Physics
Rigaku TOPIQ | NoSpherA2: Novel Charge Density Tools In Olex2
This session shows how to use NoSpherA2 to perform HAR in Olex2 in real-time and visualize results and properties, including electron localization, surfaces ...
Rigaku Corporation
Laura Gagliardi: Modeling Gas Separations in Metal Organic Frameworks
Presented at "Emerging Nanostructured Materials for Clean Air and Water", a Frontiers in Nanotechnology Virtual Mini-Conference on Aug. 5, 2020. Hosted by ...
International Institute for Nanotechnology at Northwestern University
Introduction to the theory of flotation: application to sulphide minerals recovery from ores
Lev Filippov. La CÁTEDRA-Empresa ATLANTIC COPPER, dedicada a fomentar la realización de trabajos y estudios en el ámbito de la Minería metálica y la ...
UPM
Multi-Scaled Simulations on Molecular-Based Flash Memory
Presented by Vihar Georgiev, University of Glasgow at the Arm Research Summit 2017. Join us on 17-19 September in Cambridge, UK for #ArmSummit 2018.
Arm Research
Annual Lecture 2020: Making a Material Difference to Green Energy (Batteries Included)
Professor Saiful Islam is a professor of Materials Chemistry at the University of Bath. Abstract The development and deeper understanding of new materials are ...
IMSE Imperial
Michael Irwin, "An Industrial Perspective on Metal Halide Perovskite Research"
Michael Irwin Hunt Perovskite Technologies Chief Technical Officer This talk consists of three parts: 1) an overview of photovoltaics (PV) and important ...
NGPV: Center for Next Generation Photovoltaics
Valence Bond Theory | VBT | Chemical Bonding | Chp 6 | First year | Chemistry by Waris Hameed
Assalam o Alaikum Students! this video lecture includes #Valence #bond #theory #VBT from Chapter number 6 #Chemical #bonding of 1st Year #Chemistry.
Chemistry by Waris Hameed
