Q-CHEM WEBINAR VIDEOS
For those of you who cannot access our YouTube site, here are the MP4 files for your use. Click on the individual selections below to download the specific MP4 file.
- Webinar 1: Presentation by Prof. Martin Head-Gordon, "Exploring Reaction Paths Using the Freezing String Method"
- Webinar 2: Presentation by Dr. Andrew Gilbert, "Using the IQmol interface to Q-Chem"
- Webinar 3: Presentation by Prof. Anna Krylov, ""Studying excited states and open-shell species with Q-Chem"
- Webinar 4: Presentation by Prof. John Herbert, ""Exploring solvation effects with polarizable continuum solvation models"
- Webinar 5: Presentation by Prof. Alan Aspuru-Guzik, "The Harvard Clean Energy Project"
- Webinar 6: Presentation by Dr. Cherri Hsu, " "The Electronic Couplings in Electron Transfer and Excitation Energy Transfer"
- Webinar 7: Presentation by Prof. Daniel Lamberty, ""MP2 Methods in the Q-Chem Software Package"
- Webinar 8: Presentation by Roberto Peverati, "An Overview of the Minnesota Exchange-Correlation Functionals for DFT Calculations with Q-Chem"
- Webinar 9: Presentation by Dr. Lee Woodcock, "The Q-Chem/Charmm Interface for QM/MM Studies"
- Webinar 10: Presentation by Dr. Emil Proynov, ""Free Ride Through Some Aspects of Density Functional Theory"
- Webinar 11: Presentation by Prof. Roi Baer and Dr. Tamar Stein, ""Tune your range separated hybrid and breathe life into your orbital energies"
- Webinar 12: Presentation by Prof. Martin Head-Gordon, "What's New in Q-Chem?"
- Webinar 13: Presentation by Prof. Nick Besley, "Studying X-ray Absorption Spectroscopy With Q-Chem"
- Webinar 14: Presentation by Prof. Ryan Steele, "Beyond Critical Points: Ab initio dynamics and sampling in Q-Chem"
- Webinar 15: Presentation by Abir Ganguly, University of Illinois at Urbana-Champaign, "Exploring Reaction Pathways using Quantum Mechanical/Molecular Mechanical Free Energy Simulations with Q-Chem and CHARMM: Application to Biochemical Reactions"
- Webinar 16: Presentation by Dr. Andreas Dreuw, University of Heidelberg, "ADC in Q-Chem: A Versatile Module for Excited, Ionized and Electron-Attached States"
- Webinar 17: Presentation by four key developers of Q-Chem, Prof. Anna Krylov, Prof Daniel Lambrecht, Prof. John Herbert and Dr. Zhengting Gan"Q-Chem, "4.2: An Engine for Innovation"
- Webinar 18: Presentation by Dr. Joseph Subotnik, University of Pennsylvania, "Electron and Energy Transfer in Molecules"
- Webinar 19: Presentation by Prof. John Herbert, Ohio State University, "Accurate & Efficient Calculation of Non-Covalent Interactions using XSAPT"
- Webinar 20: Presentation by Prof. Martin Head-Gordon, University of California at Berkeley, "Combinational design of new density functionals using a 'survival of the most transferable' approach"
- Webinar 21: Presentation by Dr. Jeng-da Chai, National Taiwan University, "TAO-DFT and its Applications to Zigzag Graphene Nanoribbons"
- Webinar 22: Presentation by Prof. Troy Van Voorhis and Michael Mavros, Massachusetts Institute of Technology, "Constrained Density Functional Theory (CDFT)"
- Webinar 23: Presentation by Dr. Evgeny Epifanovsky, "New Features of Q-Chem Version 4.4"
- Webinar 24: Presentation by Prof. Martin Head-Gordon, "New density functionals in Q-Chem 4.4: What is the best available density functional for non-covalent interactions, thermochemistry and barrier heights?"
- Webinar 25: Presentation by Adrian Morrison, "New Approaches to Excited State Quantum Chemistry of Extended Aggregates Based on a Molecular Exciton Model"
- Webinar 26: Presentation by Prof. Martin Head-Gordon, "A Preview of Q-Chem 5.0"
- Webinar 27: Presentation by Prof. Yihan Shao, "A Few Hidden Features in Q-Chem for Geometry Optimization, Wavefunction Analysis and QM/MM Calculations"
- Webinar 28: Presentation by Prof. John Herbert, "A Preview of Q-Chem 5.1"
- Webinar 29: Presentation by Dr. Daniel Levine, "New Multi-Reference Methods in Q-Chem 5.1"
- Webinar 30: Presentation by Prof. Peter Gill, "IQmol for Beginners"
- Webinar 31: Presentation by Dr. Andrew Gilbert, "IQmol Intricacies"
- Webinar 32: Presentation by Dr. Yuezhi Mao, "Energy Decomposition Analysis in Q-Chem"
- Webinar 33: Presentation by Simon McKenzie, "New Effective Core Potential Capabilities in Q-Chem 5"
- Webinar 34: Presentation by Dr. István Ladjánszki, "BrianQC 0.8 GPU module for Q-Chem 5"
- Webinar 35: Presentation by Dr. Pavel Pokhilko, "Mixed-precision algorithms for coupled-cluster calculations"
- Webinar 36: Presentation by Prof. Anna Krylov, "Core-level spectroscopy in Q-Chem 5.2" (Slides and Inputs from this video can be found here.)
- Webinar 37: Presentation by Prof. Martin Head-Gordon, "Orbital optimized MP2 in Q-Chem: A useful method without strong correlation"
- Webinar 38: Presentation by Kevin Carter-Fenk, "Extended Symmetry-Adapted Perturbation Theory: An Accurate and Efficient Method for Noncovalent Interaction"
- Webinar 39: Presentation by Dr. Yuezhi Mao, "A Practical Guide to ALMO-EDA in Q-Chem"
- Webinar 40: Presentation by Dr. Evgeny Epifanovsky, "What's New in Q-Chem 5.3"
- Webinar 41: Presentation by Zhen (Coraline) Tao of Yale University, "Nuclear-electronic orbital (NEO) method available in Q-Chem 5.3: Integrating electronic and nuclear quantum effects"
- Webinar 42: Presentation by István Ladjánszki of BrianQC, "GPU Computing with Q-Chem and BrianQC"
- Webinar 43: Presentation by Felix Plasser of University of Loughborough, "New Analysis Tools for Excited-State Quantum Chemistry: The libwfa Library in Q-Chem"
- Webinar 44: Presentation by Maximilian Menger of University of Groningen, "PySurf - A Framework for Database Accelerated Direct Dynamics"