Varma S. – TechConnect Briefs

Toward an Integrated Computational Environment for Multiscale Computational Design of Nanoscale Ion Channel Semiconductors

Natarajan S., Varma S., Tang Y., Parker S., Mashl J., Jakobsson E., NCSA, US

This paper describes the design and operation of an integrated multiscale computational environment for design of nanoscale ion channel semiconductors, the Ion Channel Workbench. The present work builds on an earlier multiscale calculation from our [...]

Combining Computational Chemistry and Computational Electronics to Understand Protein Ion Channels

van der Straaten T., Varma S., Chiu S-W, Tang J., Aluru N.R., Eisenberg R.S., Ravaioli U., Jakobsson E., University of Illinois, US

Nanoscale computational engineering can be achieved by combining atomic and molecular scale methods of computational chemistry with coarser-grained continuum theories used in computational electronics. Each computational discipline is quite different; yet both must give the [...]