Dear Colleague, This is
the last reminder about our workshop in conjunction with the ACS National
Meeting in Philadelphia in August this year. The workshop will be held on the
campus of University of Pennsylvania on Saturday the 18th, the day before the
ACS meeting starts. The workshop will consist of seminars and hands-on
tutorials. You will also have a unique opportunity to meet our academic
contributors since many of them (Martin Head-Gordon, Peter Gill, Anna
Krylov, Joe Subotnik, John Herbert, Ryan Steele, and many more) are also coming to the ACS meeting and holding a gathering on
the same day. We are purposely leaving the topics of the seminars open so
that they can be decided according to your interest. All workshop
participants will receive a free four-month license for unlimited use of Q-Chem
4.0. Please bring your own laptop computers for the
tutorials. The registration website is here: http://www.q-chem.com/qchem-website/wsphil_hh.html. Please
indicate the areas you would like the workshop to cover and the developers you
would like to meet. We will do our best to make arrangements
accordingly. We have extended the deadline for registration to July
29th. Q-Chem is a comprehensive ab initio package and the
recent release of Q-Chem 4.0 represents the state-of-the-art of methodology from
the highest performance DFT/HF calculations to high level post-HF correlation
methods: •
Dispersion-corrected and double hybrid DFT functionals; • Faster algorithms for DFT, HF
and coupled-cluster calculations; • Structures and vibrations of
excited states with TD-DFT; • Methods for mapping complicated
potential energy surfaces; • Efficient valence space models
for strong correlation; • More choices for excited
states, solvation and charge-transfer; • Effective Fragment Potential
and QM/MM for large systems; • Shared-memory for multicores
and implementations for GPU's. For a complete list of new
features, please visit our website http://www.q-chem.com/qchem-website/whatsNew4.html. I
apologize if you have received multiple copies of this
message. Happy Computing, Jing
Kong, PhD CEO
and Chief Scientist |