Search

Computational Knowledge Meets Quantum Chemistry – Video

Posted on October 21, 2014 by Danzig

Video Link: https://www.youtube.com/watch?v=x7mAirEFNXE

Computational Knowledge Meets Quantum Chemistry
In this talk, we present a DFT simulation code implemented entirely in the Wolfram Language. We briefly discuss our experience in using the Wolfram Language as a software development tool ...

By: Wolfram

Read the rest here:
Computational Knowledge Meets Quantum Chemistry - Video

Related Posts

• ONS t-shirts from Zazzle [Last Updated On: August 17th, 2024] [Originally Added On: April 6th, 2010]
• Scientists Embrace Openness Article in Science Careers [Last Updated On: August 17th, 2024] [Originally Added On: April 12th, 2010]
• ONS Books Wiki [Last Updated On: August 17th, 2024] [Originally Added On: April 20th, 2010]
• Reaction Attempts Book Edition 1 and UsefulChem Archive [Last Updated On: August 17th, 2024] [Originally Added On: April 28th, 2010]
• NMR integration web service expanded [Last Updated On: August 17th, 2024] [Originally Added On: May 1st, 2010]
• The Synaptic Leap Experiments on Reaction Attempts [Last Updated On: August 17th, 2024] [Originally Added On: May 3rd, 2010]
• ChemSpider SyntheticPages [Last Updated On: August 17th, 2024] [Originally Added On: May 4th, 2010]
• The Scientist Article on Electronic Lab Notebooks [Last Updated On: August 17th, 2024] [Originally Added On: May 7th, 2010]
• OpenSciNY Open Notebook Science Talk [Last Updated On: August 17th, 2024] [Originally Added On: May 17th, 2010]
• Setac Europe 2010: ‘It’ll all come out in the wash’ [Last Updated On: August 17th, 2024] [Originally Added On: June 3rd, 2010]
• ASMS: Forget Vioxx, eat chocolate? [Last Updated On: August 17th, 2024] [Originally Added On: June 3rd, 2010]
• Smoking could be good for you – if you get the message [Last Updated On: August 17th, 2024] [Originally Added On: June 3rd, 2010]
• Chemistry World's round-up of money and molecules [Last Updated On: August 17th, 2024] [Originally Added On: June 3rd, 2010]
• ASMS: Anthrax attacks [Last Updated On: August 17th, 2024] [Originally Added On: June 3rd, 2010]
• This week on Chemistry World… [Last Updated On: August 17th, 2024] [Originally Added On: June 3rd, 2010]
• Use of ONS to protect Open Research: the case of the Ugi approach to Praziquantel [Last Updated On: August 17th, 2024] [Originally Added On: June 3rd, 2010]
• IGERT NSF panel on Digital Science [Last Updated On: August 17th, 2024] [Originally Added On: June 8th, 2010]
• Reaction Attempts Explorer [Last Updated On: August 17th, 2024] [Originally Added On: June 25th, 2010]
• Methanol Solubility Prediction Model 4 for Ugi reactions in the literature [Last Updated On: August 17th, 2024] [Originally Added On: July 8th, 2010]
• Secrecy in Astronomy and the Open Science Ratchet [Last Updated On: August 17th, 2024] [Originally Added On: July 12th, 2010]
• Resveratrol Thesis on Reaction Attempts [Last Updated On: August 17th, 2024] [Originally Added On: July 22nd, 2010]
• General Transparent Solubility Prediction using Abraham Descriptors [Last Updated On: August 17th, 2024] [Originally Added On: July 25th, 2010]
• Berkeley Open Science Summit 2010 Notes [Last Updated On: August 17th, 2024] [Originally Added On: August 2nd, 2010]
• The Reaction Attempts Solvent Selector [Last Updated On: August 17th, 2024] [Originally Added On: August 8th, 2010]
• Green Solvent Metric on Solvent Predictor [Last Updated On: August 17th, 2024] [Originally Added On: August 17th, 2010]
• ChemTaverna Workflows of ONS Web Services now on MyExperiment [Last Updated On: August 17th, 2024] [Originally Added On: October 11th, 2010]
• Open Notebook Science in Drug Discovery at Opal Event [Last Updated On: August 17th, 2024] [Originally Added On: October 11th, 2010]
• Cheminfo Retrieval Classes 1 and 2 in 2010 [Last Updated On: August 17th, 2024] [Originally Added On: October 11th, 2010]
• The Meaning of Data panel at a class on the Rhetoric of Science [Last Updated On: August 17th, 2024] [Originally Added On: October 11th, 2010]
• Dynamic links to private tagged Mendeley collections [Last Updated On: August 17th, 2024] [Originally Added On: October 16th, 2010]
• Elizabeth Brown's guest lecture for ChemInfo Retrieval [Last Updated On: August 17th, 2024] [Originally Added On: November 7th, 2010]
• Nanoinformatics 2010 Conference Report [Last Updated On: August 17th, 2024] [Originally Added On: November 7th, 2010]
• Dana Vanderwall on Cheminformatics at Drexel [Last Updated On: August 17th, 2024] [Originally Added On: December 11th, 2010]
• Mirza PhD defense on the Ugi reaction for anti-malarial screening [Last Updated On: August 17th, 2024] [Originally Added On: December 13th, 2010]
• Visualizing Social Networks in Open Notebooks [Last Updated On: August 17th, 2024] [Originally Added On: December 20th, 2010]
• Chemical Information Validation Results from Fall 2010 [Last Updated On: August 17th, 2024] [Originally Added On: January 12th, 2011]
• Science Online 2011 Thoughts [Last Updated On: August 17th, 2024] [Originally Added On: January 22nd, 2011]
• The Spectral Game with ChemDoodle [Last Updated On: August 17th, 2024] [Originally Added On: February 14th, 2011]
• Predicting temperature-dependent solubility for solvent selection [Last Updated On: August 17th, 2024] [Originally Added On: February 14th, 2011]
• Alfa Aesar melting point data now openly available [Last Updated On: August 17th, 2024] [Originally Added On: February 22nd, 2011]
• ONS Solubility Challenge Book cited in a Langmuir nanotechnology paper [Last Updated On: August 17th, 2024] [Originally Added On: February 27th, 2011]
• Validating Melting Point Data from Alfa Aesar, EPI and MDPI [Last Updated On: August 17th, 2024] [Originally Added On: March 6th, 2011]
• Open modeling of melting point data [Last Updated On: August 17th, 2024] [Originally Added On: March 23rd, 2011]
• Towards the automated discovery of useful solubility applications [Last Updated On: August 17th, 2024] [Originally Added On: March 29th, 2011]
• ACS and ACRL presentations on web services and trust in science [Last Updated On: August 17th, 2024] [Originally Added On: April 10th, 2011]
• Collaboration using Open Notebook Science in Academia book chapter [Last Updated On: August 17th, 2024] [Originally Added On: May 8th, 2011]
• Evan Curtin is the May 2011 RSC ONS Challenge Winner [Last Updated On: August 17th, 2024] [Originally Added On: May 8th, 2011]
• Breast Cancer Coalition talk on ONS and Taxol solubility [Last Updated On: August 17th, 2024] [Originally Added On: May 15th, 2011]
• La Science par Cahier de Laboratoire Ouvert à l'Acfas [Last Updated On: August 17th, 2024] [Originally Added On: May 15th, 2011]
• More Open Melting Points from EPI and other sources: on the path to ultimate curation [Last Updated On: August 17th, 2024] [Originally Added On: May 29th, 2011]
• More on 4-benzyltoluene and the impact of melting point data curation and transparency [Last Updated On: August 17th, 2024] [Originally Added On: June 12th, 2011]
• The quest to determine the melting point of 4-benzyltoluene [Last Updated On: August 17th, 2024] [Originally Added On: June 12th, 2011]
• Open Melting Points on iPhone via MMDS [Last Updated On: August 17th, 2024] [Originally Added On: June 12th, 2011]
• My talk at SLA on Trust in Science and Open Melting Point Collections [Last Updated On: August 17th, 2024] [Originally Added On: June 19th, 2011]
• Live Tweeting Haumea: the Open Science Ratchet at work? [Last Updated On: August 17th, 2024] [Originally Added On: June 19th, 2011]
• Google Apps Scripts for an intuitive interface to organic chemistry Open Notebooks [Last Updated On: August 17th, 2024] [Originally Added On: June 19th, 2011]
• The 4-benzyltoluene melting point twist [Last Updated On: August 17th, 2024] [Originally Added On: June 26th, 2011]
• Open Notebook Science Talk at HUBbub 2011 [Last Updated On: August 17th, 2024] [Originally Added On: July 3rd, 2011]
• Practical Tips on using Google Apps Scripts for Chemistry Applications [Last Updated On: August 17th, 2024] [Originally Added On: July 17th, 2011]
• Burberry Acoustic - 'Chemistry' by One Night Only for Vogue Fashion Night Out [Last Updated On: August 17th, 2024] [Originally Added On: July 23rd, 2011]
• Rapid analysis of melting point trends and models using Google Apps Scripts [Last Updated On: August 17th, 2024] [Originally Added On: July 24th, 2011]
• Open Melting Point Collection Book Edition 1 [Last Updated On: August 17th, 2024] [Originally Added On: August 14th, 2011]
• Google Apps Scripts Workshop at Drexel University [Last Updated On: August 17th, 2024] [Originally Added On: August 21st, 2011]
• Patrick Ndungu talk at Drexel on Nanotechnology [Last Updated On: August 17th, 2024] [Originally Added On: August 21st, 2011]
• MiniSymposium Bradley Lab 2011 [Last Updated On: August 17th, 2024] [Originally Added On: October 9th, 2011]
• Chemistry [Last Updated On: August 17th, 2024] [Originally Added On: October 10th, 2011]
• Interpol - Rest My Chemistry [Last Updated On: August 17th, 2024] [Originally Added On: October 10th, 2011]
• Queens Of The Stone Age - Better Living Through Chemistry [Last Updated On: August 17th, 2024] [Originally Added On: October 12th, 2011]
• Greatest Chemistry Discoveries - Video [Last Updated On: August 17th, 2024] [Originally Added On: October 13th, 2011]
• Butterfingers - The Chemistry - Video [Last Updated On: August 17th, 2024] [Originally Added On: October 13th, 2011]
• Lec 1 Introduction to Chemistry [Last Updated On: August 17th, 2024] [Originally Added On: October 14th, 2011]
• KATNISS AND PEETA: Chemistry Screen Test using the cave scene from The Hunger Games - Video [Last Updated On: August 17th, 2024] [Originally Added On: October 15th, 2011]
• The Smiths - Live on Data Run c. 1984, a British TV Program - Video [Last Updated On: August 17th, 2024] [Originally Added On: October 15th, 2011]
• Organic Chemistry reactions - 7 clues from Obi Wan - Video [Last Updated On: August 17th, 2024] [Originally Added On: October 15th, 2011]
• CHEMISTRY Period Live Fullmetal Alchemist Brotherhood 4 OP - Video [Last Updated On: August 17th, 2024] [Originally Added On: October 16th, 2011]
• Rush - Chemistry - Video [Last Updated On: August 17th, 2024] [Originally Added On: October 16th, 2011]
• The Office: Jim and Pam - Video [Last Updated On: August 17th, 2024] [Originally Added On: October 17th, 2011]
• Chemistry 1A - Lecture 3 - Video [Last Updated On: August 17th, 2024] [Originally Added On: October 19th, 2011]
• Chemical Party - Video [Last Updated On: August 17th, 2024] [Originally Added On: October 19th, 2011]
• Shiny Toy Guns-Chemistry of a Car Crash (with lyrics) - Video [Last Updated On: August 17th, 2024] [Originally Added On: October 21st, 2011]

Search