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Technical Information about Q-Chem

Q-Chem provides users with a wide array of technical support materials.

Technical support: Email: support@q-chem.com
Q-Chem User's Guide:
5.2, 5.1, 5.0 5.2, 5.1, 5.0
4.4, 4.3, 4.1, 4.0 4.3, 4.4, 4.2
Fully integrated graphic interface molecular builder, input generator, contextual help, and visualization toolkit:

Third Party Graphic Software Alternatives: Avogadro, WebMO, MolDen, JMol
Supported Platforms: 5.X, 4.2, 4.1, 4.0
Program Citation: 5.2, 5.1, 5.0, 4.4, 4.3, 4.2, 4.1, 4.0
Publications citing Q-Chem
Q-Chem Package Update & Maintenance: Updating to the latest distribution; re-generating and submitting license data; receiving updates through Linux's cron

Q-Chem's YouTube Tutorial files:

If you cannot access YouTube files,
you can view our MP4s here.

Q-Chem Webinar 34: "BrianQC 0.8 GPU module for Q-Chem 5" Presentation by István Ladjánszki, StreamNovation Ltd.
Q-Chem Webinar 33: "New Effective Core Potential Capabilities in Q-Chem 5" PresentationBrianQC 0.8 GPU module for Q-Chem 5 by Simon McKenzie, Australian National University
Q-Chem Webinar 32: "Energy Decomposition Analysis in Q-Chem" Presentation by Dr. Yuezhi Mao, Stanford University
Q-Chem Webinar 31: "IQmol Intricacies" Presentation by Dr. Andrew Gilbert, Q-Chem, Inc., IQmol developer
Q-Chem Webinar 30: "IQmol for Beginners" Presentation by Prof. Peter Gill of Australian National University
Q-Chem Webinar 29: "New Multi-Reference Methods in Q-Chem 5.1" Presentation by Dr. Daniel Levine of University of California, Berkeley

Q-Chem Webinar 28: "A Preview of Q-Chem 5.1" Presentation by Prof. John Herbert of Ohio State University

Q-Chem Webinar 27: "A Few Hidden Features in Q-Chem for Geometry Optimization, Wavefunction Analysis and QM/MM Calculations " Presentation by Prof. Yihan Shao of University of Oklahoma

Q-Chem Webinar 26: "A Preview of Q-Chem 5.0" Presentation by Prof. Martin Head-Gordon of University of California, Berkeley

Q-Chem Webinar 25: "New Approaches to Excited State Quantum Chemistry of Extended Aggregates Based on a Molecular Exciton Model" Presenter: Adrian Morrison, Ohio State University

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 23: "New Features of Q-Chem 4.4" Presenter: Dr. Evgeny Epifanovsky, Q-Chem, Inc.

Q-Chem Webinar 22: "Constrained density functional theory (CDFT)" Presenter: Prof. Troy Van Voorhis and Michael Mavros, Massachusetts Institute of Technology

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 20: "Combinatorial design of new density functionals using a 'survival of the most transferable' approach" Presented by Prof. Martin Head-Gordon, University of California at Berkeley

Q-Chem Webinar 19: "Accurate & Efficient Calculation of Non-Covalent Interactions using XSAPT" Presented by Prof. John Herbert, Ohio State University

Q-Chem Webinar 18: "Electron and Energy Transfer in Molecules" Presented by Dr. Joseph Subotnik, University off Pennsylvania.

Q-Chem Webinar 17: "Q-Chem 4.2: An Engine for Innovation" Presented by four key developers of Q-Chem, Prof. Anna Krylov, Prof Daniel Lambrecht, Prof. John Herbert and Dr. Zhengting Gan.

Q-Chem Webinar 16: "ADC in Q-Chem: A Versatile Module for Excited, Ionized and Electron-Attached States" Presentation by Dr. Andreas Dreuw, University of Heidelberg

Q-Chem Webinar 15: "Exploring Reaction Pathways using QM/MM Free Energy Simulations with Q-Chem and CHARMM: Application to Biochemical Reactions" presented by Dr. Abir Ganguly, University of Illinois at Urbana-Champaign.

Q-Chem Webinar 14: "Beyond Critical Points: Ab initio dynamics and sampling in Q-Chem" presented by Prof. Ryan P. Steele, University of Utah.

Q-Chem Webinar 13: "Studying X-ray Absorption Spectroscopy With Q-Chem" Presented by Prof. Nick Besley, University of Nottingham

Q-Chem Webinar 12: Prof. Martin Head-Gordon presents "What's New in Q-Chem"

Q-Chem Webinar 11: "Tune your range separated hybrid and breathe life into your orbital energies" Presented by Prof. Roi Baer, Hebrew University of Jerusalem, and Dr. Tamar Stein, Rice University

Q-Chem Webinar 10: "Free Ride Through Some Aspects of Density Functional Theory" presented by Dr. Emil Proynov, Senior Scientist at Q-Chem

Q-Chem Webinar 9: "The Q-Chem/Charmm Interface for QM/MM Studies" presented by Dr. Lee Woodcock

Q-Chem Webinar 8: "An Overview of the Minnesota Exchange-Correlation Funcationals for DFT Calculations with Q-Chem" presented by Dr. Roberto Peverati, University of California at Berkeley

Q-Chem Webinar 7: "MP2 Methods in the Q-Chem Software Package" presented by Prof. Daniel Lambrecht

Q-Chem Webinar 6: "The Electronic Couplings in Electron Transfer and Excitation Energy Transfer" presented by Prof. Cherri Hsu

Q-Chem Webinar 5: "The Harvard Clean Energy Project" presented by Prof. Alán Aspuru-Guzik

Q-Chem Webinar 4: "Exploring Solvation Effects with Polarizable Continuum Solvation Models" presented by Prof. John Herbert

Q-Chem Webinar 3: "Studying excited states and open-shell species with Q-Chem" presented by Prof. Anna Krylov

Q-Chem Webinar 2: "Using the IQmol Interface to Q-Chem" presented by Dr. Andrew Gilbert

Q-Chem Webinar 1: "Exploring Reaction Paths Using the Freezing String Method" presented by Prof. Martin Head-Gordon

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