- FOR Q-CHEM DEVELOPERS ONLY: Developer Meeting has been scheduled in San Diego, California (the day before the ACS meeting), August 24, 2019, with The Annual Michael Wormit Award dinner to follow. Details can be found here.
- User Workshop in conjunction with APATCC 2019 conference to be held in Sydney, Australia. A registration link and additional information can be found here.
No workshops are scheduled at this time. Please check back soon: More workshops will be announced soon.
Webinar Series - Exploring Chemistry with Q-Chem
More webinars will be announced soon. Watch your e-mail for this announcement!
- YouTube Video Presentations of Previous Webinars
- Presentation by Pavel Pokhilko, University of Southern California, "Mixed-precision algorithms for coupled-cluster calculations"
Presented April 23, 2019.
- Presentation by István Ladjánszki, StreamNovation Ltd., "BrianQC 0.8 GPU module for Q-Chem 5 "
Presented November 28, 2018
- Presentation by Simon McKenzie, Australian National University
"New Effective Core Potential Capabilities in Q-Chem 5"
Presented November 7, 2018
- Presentation by Dr. Yuezhi Mao, Stanford University
"Energy Decomposition Analysis in Q-Chem"
Presented September 19, 2018
- Presentation by Dr. Andrew Gilbert, Q-Chem, Inc.
Presented July 31, 2018
- Presentation by Prof. Peter Gill of Australian National University,
"IQmol for Beginners"
Presented June 8, 2018
- Presentation by Dr. Daniel Levine of University of California, Berkeley, "New Multi-Reference Methods in Q-Chem 5.1"
Presented May 25, 2018
- Presentation by Prof. John Herbert of Ohio State University, "A Preview of Q-Chem 5.1"
Presented April 24, 2018
- Presentation by Prof. Yihan Shao of University of Oklahoma, "A Few Hidden Features in Q-Chem for Geometry Optimization, Wavefunction Analysis and QM/MM Calculations"
Presented February 27, 2018
- Presentation by Prof. Martin Head-Gordon of University of California, Berkeley, "A Preview of Q-Chem 5.0"
Presented March 23, 2017
- Presentation by Adrian Morrison of Ohio State University, "New Approaches to Excited State Quantum Chemistry of Extended Aggregates Based on a Molecular Exciton Model"
Presented September 14, 2016
- Presentation by Prof. Martin Head-Gordon of University of California at Berkeley, "New Density Functionals in Q-Chem 4.4: What is the best available density functional for non-covalent interactions, thermochemistry and barrier heights?"
Presented August 4, 2016.
- Presentation by Dr. Evgeny Epifanovsky of Q-Chem, Inc., "New Features of Q-Chem 4.4"
Presented June 8, 2016
- Presentation by Prof. Troy Van Voorhis and Dr. Michael Mavros of MIT, "Constrained density functional theory (CDFT)"
Presented January 29, 2016
- Presentation by Dr. Jeng-Da Chai, National Taiwan University, "TAO-DFT and its Applications to Zigzag Graphene Nanoribbons"
Presented December 3, 2015
- Presentation by Prof. Martin Head-Gordon, University of California at Berkeley, "Combinatorial design of new density functionals using a 'survival of the most transferable' approach"
Presented March 5, 2015
- Presentation by Prof. John Herbert, Ohio State University, "Accurate & Efficient Calculation of Non-Covalent Interactions using XSAPT"
Presented December 5, 2014
- Presentation by Dr. Joseph Subotnik, University of Pennsylvania, "Electron and Energy Transfer in Molecules"
Presented October 23, 2014
- 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"
Presented June 25, 2014
- Presentation by Dr. Andreas Dreuw, University of Heidelberg, "ADC in Q-Chem: A Versatile Module for Excited, Ionized and Electron-Attached States"
Presented May 28, 2014
- 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"
Presented March 26, 2014
- Presentation by Prof. Ryan P. Steele, University of Utah, "Beyond Critical Points: Ab initio dynamics and sampling in Q-Chem"
Presented February 19, 2014
- Presentation by Prof. Nick Besley, University of Nottingham, "Studying X-ray Absorption Spectroscopy With Q-Chem"
Presented January 15, 2014
- Presentation by Prof. Martin Head-Gordon, University of California at Berkeley,
"What's New in Q-Chem?"
Presented December 11, 2013
- Presentation by Prof. Roi Baer, Hebrew University of Jerusalem, and Dr. Tamar Stein, Rice University
"Tune your range separated hybrid and breathe life into your orbital energies"
presented Wednesday, November 6, 2013
- Presentation by Dr. Emil Proynov, Senior Scientist at Q-Chem, Inc.
"Free Ride Through Some Aspects of Density Functional Theory"
presented Wednesday, June 19, 2013
- Presentation by Dr. Lee Woodcock of University of South Florida
"The Q-Chem/Charmm Interface for QM/MM Studies"
Presented Wednesday, June 13, 2013
- Presentation by Prof. Daniel Lambrecht, University of Pittsburgh:
"MP2 Methods in the Q-Chem Software Package",
Presented March 26, 2013
- Presentation by Dr. Cherri Hsu, Academia Sinica (Taipei, Taiwan):
"The Electronic Couplings in Electron Transfer and Excitation Energy Transfer",
Presented March 6, 2013
- Presentation by Prof Alan Aspuru-Guzik, Harvard University:
"The Harvard Clean Energy Project",
Presented Tuesday, February 5, 2013
- Presentation by Prof. John Herbert, Ohio State University:
"Exploring solvation effects with polarizable continuum solvation models",
Presented January 16, 2013
Presentation by Prof. Anna Krylov, University of Southern California :
"Studying excited states and open-shell species with Q-Chem",
Presented December 13, 2012
- Presentation by Andrew Gilbert: Using the IQmol interface to Q-Chem,
Presented November 27, 2012
- Presentation by Martin Head-Gordon: Exploring Reaction Paths Using the Freezing String Method,
Presented October 30, 2012
Presentation by Dr. Roberto Peverati of University of California at Berkeley
"An Overview of the Minnesota Exchange-Correlation Functionals for DFT Calculations with Q-Chem"
Presented Wednesday, April 24, 2013
- San Francisco, California, April 2, 2017
- Philadelphia, Pennsylvania, August 20, 2016
- MESBA 2016, Buenos Aires, TBD - Sept 19-23
- Pilani, India, October 19, 2015
- Beijing, China at Tsinghua University, June 7, 2015.
- University of Colorado at Denver, March 21, 2015
- Indian Institute of Science Eduation and Research (IISER), Pune, India, December 17, 2014
- Gyeongju Hilton Hotel, Korea, July 10, 2013
- Texas A&M University, October 26, 2012
- Philadelphia, Pennsylvania, August 18, 2012
- Developer Meeting, August 17-18, 2012
- Madison, Wisconsin, June 7, 2012
- CECAM CHARMM tutorial (with a Q-Chem/CHARMM session), Dublin, Ireland, June 5-8, 2012
- Developer Workshop: Pittsburgh, PA, January 15, 2012
- NCHC, HsinChu, Taiwan, November 21, 2011
- University of Hong Kong, Pok Fu Lam, Hong Kong, November 15, 2011
- Beijing Normal University, Beijing, China, November 8-9, 2011
- Santiago de Compostela, Spain, July 16, 2011, 3 pm - 7 pm
- Anaheim, California, March 26, 2011
- >Brookhaven National Laboratory, Brookhaven, NY, July 19, 2010
- Beijing Normal University, Beijing, China, May 14th, 2010
- University at Buffalo, NY, May 11th, 2010
- University of Louisville, KY, March 30th, 2010
- The Supercomputing Center, Chinese Academy of Sciences, Beijing, China, December 21th-22th, 2009
- University of California, Berkeley, CA, December 10th-11th, 2009
- University of Illinois at Urbana-Champaign, Il, November 4th-5ht, 2009
- Washington DC, August 15th, 2009
- Beijing Normal University, China, June 17th-19th, 2009
- Penn State University, State College, PA, May 19th, 2009
- Pittsburgh Supercomputing Center, Pittsburgh, PA, March 19-20th, 2009
Send us your feedback regarding website content, functionality or submit an enhancement request.