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Q-Chem Tutorials

For our customers' instruction and assistance, Q-Chem has developed a YouTube channel. Check here often, as we will be uploading videos demonstrating the capabilities of Q-Chem, sharing our past Webinars, as well as posting downloading instructions and other tutorials on how to use various functions of our software . For readability, we recommend using the Full Screen - button to view the videos in full screen.

Q-Chem Webinars

Webinar 1: Exploring Reaction Paths Using the Freezing String Method
Presenter: Prof. Martin Head-Gordon, UC at Berkeley
Webinar 2: Using the IQmol Interface to Q-Chem

Presenter: Dr. Andrew Gilbert, Australian National U.
Webinar 3: Studying excited states and open-shell species with Q-Chem
Presenter: Prof. Anna Krylov, USC
Webinar 4: Exploring solvation effects with polarizable continuum solvation models,
Presenter: Prof. John Herbert, Ohio State University
Webinar 5: The Harvard Clean Energy Project
Presenter: Prof. Alán Aspuru-Guzik, Harvard University
Webinar 6: The Electronic Couplings in Electron Transfer and Excitation Energy Transfer,
Presenter: Prof. Cherri Hsu, Academia Sinica
Webinar 7: MP2 Methods in the Q-Chem Software Package
Presenter: Prof. Daniel Lambrecht, University of Pittsburgh
Q-Chem Webinar 8: An Overview of the Minnesota Exchange-Correlation Funcationals for DFT Calculations with Q-Chem
Presenter: Dr. Roberto Peverati, University of
California at Berkeley
Webinar 9: The Q-Chem/Charmm Interface for QM/MM Studies
Presenter: Dr. Lee Woodcock, University of South Florida
Q-Chem Webinar 10: Free Ride Through Some Aspects of Density Functional Theory" with Q-Chem
Presenter: Dr. Emil Proynov, Senior Scientist at Q-Chem
Webinar 11: Tune your Range Separated Hybrid and Breathe Life into your Orbital Energies
Presenter: Prof. Roi Baer of Hebrew University of Jerusalem and Dr. Tamar Stein of Rice University.
Q-Chem Webinar 12: What's New in Q-Chem?
Presenter: Prof. Martin Head-Gordon, University of California at Berkeley.
Webinar 13: Studying X-ray Absorption Spectroscopy With Q-Chem
Presenter: Prof. Nick Besley of University of Nottingham.
Q-Chem Webinar 14: Beyond Critical Points: Ab initio dynamics and sampling in Q-Chem"
Presenter: Prof. Ryan Steele, University of Utah
Q-Chem Webinar 15: Exploring Reaction Pathways using QM/MM Free Energy Simulations with Q-Chem and CHARMM: Application to Biochemical Reactions Presenter: Abir Ganguly, University of Illinois at Urbana-Champaign.
Webinar 16: Q-Chem ADC in Q-Chem: A Versatile Module for Excited, Ionized and Electron-Attached States
Presenter: Dr. Andreas Dreuw, University of Heidelberg
Q-Chem Webinar 17: Q-Chem 4.2: An Engine for Innovation Presenters: four key developers of Q-Chem, Prof. Anna Krylov, Prof Daniel Lambrecht, Prof. John Herbert and Dr. Zhengting Gan
Q-Chem Webinar 18: Electron and Energy Transfer in Molecules
Presenter: Dr. Joseph Subotnik, University of Pennsylvania
Q-Chem Webinar 19: "Accurate & Efficient Calculation of Non-Covalent Interactions using XSAPT" Presented by Prof. John Herbert, Ohio State University
Q-Chem Webinar 20: Combinatorial design of new density functionals using a "survival of the most transferable" approach
Presenter: Prof. Martin Head-Gordon, University of California at Berkeley
Q-Chem Webinar 21: "TAO-DFT and its applications to zigzag graphene nanoribbons" Presented by Dr. Jeng-da Chai, National Taiwan University
Q-Chem Webinar 22: "Constrained density functional theory (CDFT)"
Presenter: Prof. Troy Van Voorhis and Michael Mavros, Massachusetts Institute of Technology

Q-Chem Webinar 23: "New Features of Q-Chem 4.4" Presented by Dr. Evgeny Epifanovsky, Q-Chem, Inc.
Q-Chem Webinar 24: "New density functionals in Q-Chem 4.4: What is the best available density functional for non-covalent interactions, thermochemistry and barrier heights?"
Presenter: Prof. Martin Head-Gordon, University of California at Berkeley
Q-Chem Webinar 25: "New Approaches to Excited State Quantum Chemistry of Extended Aggregates Based on a Molecular Exciton Model"
Presented by Adrian Morrison, Ohio State University
Q-Chem Webinar 26: "A Preview of Q-Chem 5.0"
Presenter: Prof. Martin Head-Gordon, University of California at Berkeley
Q-Chem Webinar 27: "A Few Hidden Features in Q-Chem for Geometry Optimization, Wavefunction Analysis and QM/MM Calculations"
Presented by Yihan Shao, University of Oklahoma
Q-Chem Webinar 28: "A Preview of Q-Chem 5.1"
Presenter: Prof. John Herbert, Ohio State University
Q-Chem Webinar 29: "New Multi-Reference Methods in Q-Chem 5.1"
Presented by Dr. Daniel Levine, University of California, Berkeley
Q-Chem Webinar 30: "IQmol for Baginners"
Presenter: Prof. Peter Gill, Australian National University
Q-Chem Webinar 31: "IQmol Intricacies"
Presented by Dr. Andrew Gilbert, Q-Chem, Inc.
Q-Chem Webinar 32: "Energy Decomposition Analysis in Q-Chem"
Presenter: Dr. Yuezhi Mao, Stanford University
Q-Chem Webinar 33: "New Effective Core Potential Capabilities in Q-Chem 5"
Presented by Simon McKenzie, Australian National University
Q-Chem Webinar 34: "BrianQC 0.8 GPU Module for Q-Chem 5"
Presenter: István Ladjánszki, StreamNovation Ltd.
Q-Chem Webinar 35: "Mixed-precision algorithms for coupled-cluster calculations"
Presented by Dr. Pavel Pokhilko, University of Southern California
Q-Chem Webinar 36: "Core-level spectroscopy in Q-Chem 5.2"
Presenter: Prof. Anna Krylov, University of Southern California
(Slides and Inputs from this video can be found here.)
Q-Chem Webinar 37: "Orbital optimized MP2 in Q-Chem: A useful method without strong correlation"
Presented by Prof. Martin Head-Gordon, University of California at Berkeley

Lecture from Virtual Winterschool

Quantum Chemistry of Electronically-Excited and Open-Shell Species, presented by Prof. Anna Krylov, Gabilan Distinguished Professor in Science and Engineering and Professor of Chemistry, University of Southern California