Computational Chemistry server has been upgraded, and a number of new
applications are now available to IUP faculty and students.
The cluster now offers
access to a variety of open-source computational chemistry and material science
applications. Users can easily connect to various applications through
the Internet, remote NXClient technology, or ssh. For more information contact
Carl LeBlond at firstname.lastname@example.org, or visit the Penrose home page.
Developed by LeBlond in the Chemistry Department.
Easily track your or your students’ research progress online.
WebMo is a Web interface to Tinker, MOPAC, and Quantum
A set of tools for setting up, manipulating, running,
visualizing, and analyzing atomistic simulations.
Graphical user interface and scientific visualization
tools for setting up, storing, retrieving, and analyzing NWCHEM calculations.
An integrated suite of open-source computer codes for
electronic-structure calculations and materials modeling at the nanoscale.
Department of Chemistry