Penrose Chemistry Server Upgrade Offering New Applications

Posted on 1/14/2015 4:45:24 PM

The Penrose 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, or visit the Penrose home page.

Available Resources:

ELN (Electronic Laboratory Notebook)

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 Espresso.

ASE (Atomic Simulation Environment)

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.

Quantum Espresso

An integrated suite of open-source computer codes for electronic-structure calculations and materials modeling at the nanoscale.

Department of Chemistry