Computational Materials Research Nucleus

About Us

The computational materials research nucleus is housed within the Department of Chemical Engineering at Rochester Institute of Technology comprising a group of like-minded researchers who engineer advanced materials using computational approaches.

Together, we tackle hierarchical problems in advanced materials by designing them all the way from the atom to the technological application. We leverage fundamental concepts of chemical engineering towards materials design using data-driven science combined with high performance computing.

2021 AIChE Molecular dynamics workshop

Partial video of the demo simulation that ran for 75 nanoseconds. Also found in the Complete folder.

The workshop titled Custom-Built Thin films at the 2021 AIChE ASC (Annual Student Conference) was widely attended, exceeding capacity. If you were unable to get a USB drive, please download the tutorial contents using the following Google Drive link:

NEW! PhD Program in Biomedical and Chemical Engineering

A *new* PhD program in Biomedical and Chemical Engineering has been approved by NYS. We are currently accepting applications for Fall 2021 and beyond. Please contact any of the faculty members for additional information.