Just Announced: Wormit Award Webinar Mini-Symposium

November 23, 2020
Wormit Awards

Help us to honor our two 2020 Wormit Award winners  at our mini-symposium / webinar to be held in their honor on December 2nd from 9:30 a.m. - 11:00 a.m. PST.  Our 2020 winners, Pavel Pokhilko and Yuezhi Mao, will each give a short talk followed by a Q&A session.  Pavel will talk about, "From single-molecule magnets to infinite spin chains: A many-body adventure" and Yuezhi will be speaking on "Electronic structure methods based on absolutely localized molecular orbitals:… Read More

Just Announced: Webinar 45: "Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more"

November 16, 2020
Webinar 45 Image

Q-Chem Webinar 45: "Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more," to be co-presented by Drs. Maximilian Menger of University of Groningen and Vale Cofer-Shabica of University of Pennsylvania.  YOUTUBE video of this webinar will be posted soon.

Abstract:

The accurate description of electronic energy relaxation in supramolecular and solvated systems presents a considerable challenge for quantum… Read More

October Webinar: "PySurf - A Framework for Database Accelerated Direct Dynamics"

November 9, 2020
PySurf image

Could not make our last webinar, "PySurf - A Framework for Database Accelerated Direct Dynamics,"  presented by Maximillian Menger of the University of Groningen on October 28th?  Q-Chem is pleased to announce that this webinar is now available to view on our YouTube page.

Abstract:
Recent years have seen continuous growth of advanced electronic structure software packages which has had an extraordinary impact on our ability to aid the rational design… Read More

View our latest webinar: GPU Computing with Q-Chem and BrianQC

August 21, 2020
BrianQC graph

Last week, István Ladjánszki of BrianQC presented our latest webinar, "GPU Computing with Q-Chem and BrianQC."

If you missed it, you can now view it on our YouTube page. Enjoy!

 

Prof. Joseph Subotnik Elected APS Fellow

May 1, 2020
Prof. Joe Subotnik

Congratulations to Q-Chem developer, Prof. Joseph Subotnik of the University of Pennsylvania, who has been elected 2020 APS Fellow.

The citation for this reads, "For pioneering advances in understanding the nature of nonadiabatic processes and merging electronic structure with chemical dynamics, advances that have allowed us to better model photo-induced processes and dissipation at metal-molecule… Read More

Joonho Lee Awarded the 2020 Justin Jankunas Doctoral Dissertation Award

April 15, 2020
Joonho Lee

Dr. Joonho Lee earned his B.S. in chemistry and physics in 2013 from Pohang University of Science and Technology, South Korea. He then moved to the United States to study as a Kwanjeong Educational Foundation fellow at Caltech where he earned his M.S. in chemistry under Prof. Thomas F. Miller III. Subsequently, he moved to UC Berkeley in 2015 and completed his Ph.D. work in chemistry in 2019 under Prof. Martin P. Head-Gordon.

Read More

Prof. Martin Head-Gordon Wins the 2020 Schrödinger Medal of WATOC!

February 15, 2020
Prof. Martin Head-Gordon

Q-Chem developer and Scientific Advisor, Martin Head-Gordon, has been informed that he is to receive the 2020 Schrödinger Medal of WATOC.  This is awarded every year to one "outstanding theoretical and computational chemist."

The medalist is selected by the WATOC Board through an electronic ballot.  WATOC members can suggest candidates by email… Read More

John Herbert - Recipient of 2020 Edward W. Morley Award

January 27, 2020
Morley Medal image

Congratulations to Q-Chem developer and Board Member, John Herbert, who is the recipient of the 2020 Edward W. Morley Award from the Cleveland Section of the American Chemical Society!

The award recognizes significant contributions to chemistry through advances in research, teaching, engineering, research administration and public service, outstanding service to humanity, or to industrial… Read More

Q-Chem is Hiring

November 1, 2019
Q-Chem Chemists

Q-CHEM IS HIRING: 

Research Associate in Computational Chemistry:

Q-Chem, Inc., is seeking a scientist for a research associate position at its main office in Pleasanton, CA. The successful candidate should have a Ph.D. in theoretical chemistry or a closely-related field, with significant programming experience (C++, Python, Fortran).  Duties will include implementation of novel features,… Read More

Anna Krylov is Awarded the 2020 Earle K. Plyler Prize for Molecular Spectroscopy & Dynamics

September 30, 2019
Anna Krylov Picture

Congratulations to Q-Chem President and developer, Anna Krylov, on being awarded the 2020 Earle K. Plyler Prize for Molecular Spectroscopy & Dynamics "For her innovative work developing high accuracy electronic structure theory to inspire interpretation of spectroscopy of radicals, excited states, and ionization resonances in small molecules, biomolecules, and condensed phase solutes."

This award, sponsored by… Read More

Just Announced: Wormit Award Webinar Mini-Symposium

November 23, 2020
Wormit Awards

Help us to honor our two 2020 Wormit Award winners  at our mini-symposium / webinar to be held in their honor on December 2nd from 9:30 a.m. - 11:00 a.m. PST.  Our 2020 winners, Pavel Pokhilko and… Read More

Just Announced: Webinar 45: "Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more"

November 16, 2020
Webinar 45 Image

Q-Chem Webinar 45: "Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more," to be co-presented by Drs. Maximilian Menger of University of… Read More

October Webinar: "PySurf - A Framework for Database Accelerated Direct Dynamics"

November 9, 2020
PySurf image

Could not make our last webinar, "PySurf - A Framework for Database Accelerated Direct Dynamics,"  presented by Maximillian Menger of the University of Groningen on October 28th?  Q-Chem is… Read More

View our latest webinar: GPU Computing with Q-Chem and BrianQC

August 21, 2020
BrianQC graph

Last week, István Ladjánszki of BrianQC presented our latest webinar, "GPU Computing with Q-Chem and BrianQC."

If you missed it, you… Read More

Prof. Joseph Subotnik Elected APS Fellow

May 1, 2020
Prof. Joe Subotnik

Congratulations to Q-Chem developer, Prof. Joseph Subotnik of the University of Pennsylvania, who has been elected 2020 Read More