What's New

Recent developments within Q-Chem include:

Q-Chem will be presenting workshops in Beijing, Hong Kong and Taiwan in November, 2011. For more information, please visit www.q-chem.com/ws_sch.html

Announcing IQmol!
Q-Chem is proud to recommend IQmol as its preferred molecular editor and visualization package. IQmol is a free open-source program which offers a range of features that include a molecular editor, surface generation (orbitals and densities) and animations (vibrational modes and reaction pathways).

IQmol has been integrated with Q-Chem and features an intuitive environment to set up, run and analyze Q-Chem calculations. For more information about IQmol as well as downloading information visit www.iqmol.org.
Harvard Clean Energy Project - Powered by Q-Chem
Q-Chem was recently informed by Harvard that their Clean Energy Project was largely the result of "nearly 40 million DFT calculations with Q-Chem."
The Harvard Clean Energy Project, motivated by the ever-growing energy crisis, mounts an extensive search for promising photovoltaic organic material which might result in a cheaper and more efficient source of harvesting solar power. Candidates for photovoltaic applications are screened through molecular calculations performed on more than a million computers, to first eliminate unfit material and provide for structural tends among promising candidates, as well as to examine and provide a more detailed characterization of promising molecules.
Read more about the Clean Energy Project here.

In April of 2011, Professor Martin P. Head-Gordon, Scientific Advisor to Q-Chem, was elected to the Chemistry Section (Class I, Section 3) of American Academy of Arts and Sciences. [Pdf Announcement]

Professor Peter Gill, President and contributing developer of Q-Chem, has been awarded the 2011 Schroedinger Medal of the World Association of Theoretical and Computational Chemists (WATOC) for "his outstanding contributions to intracules, Coulomb operator resolutions, perturbative techniques, and two-electron system".

Dr. Chao-Ping Hsu, contributing developer of Q-Chem, was awarded the 2010 Pople Medal for "her contributions to charge transport and energy transfer in advanced materials and dynamic description of biological systems. She developed computational schemes to characterize the electronic coupling strengths for both electron transfer, excitation energy transfer processes, and ab initio computational schemes to calculate triplet excitation energy transfer."

Dr. Anna I. Krylov, Board Member and contributing developer of Q-Chem, was awarded the 2007 Dirac Medal for "her outstanding research on new methods in electronic structure theory for the description of bond-breaking, in particular the spin-flip method."

The Board and Employees of Q-Chem, Inc. were saddened by the recent death of Professor John Pople. John has been a director of Q-Chem for the last five years and we thank him for all that he has done for us, both as individuals and as a company. He will be greatly missed by his friends and by the scientific community to which he contributed so much.