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Welcome to CNL!

Welcome to the Computational Nanoscience Laboratory in the School of Mechanical and Materials Engineering. This group is led by Soumik Banerjee, who is an Associate Professor at WSU. CNL focuses on modeling materials relevant to energy conversion and storage. In particular, we perform atomistic, molecular and mesoscale simulations to investigate energy conversion, transport and storage mechanisms in a range of materials including carbon nanotubes, organic crystals, fullerenes, and conjugated polymers. CNL is particularly involved in modeling chemical kinetics at interfaces, thermal and charge transport phenomena and growth and agglomeration of nanomaterials.

Some of the ongoing projects are related to:

  • Perovskite solar cells – Modeling the morphology of thin films and perovskite-acceptor interfaces
  • Na-ion batteries – Modeling electrode- electrolyte interfaces
  • Li batteries – Identification of novel electrolytes
  • Sensors – Controlled deposition of carbon nanotubes on substrates
  • Development of a multiscale model – Self-assembly of nanostructures in solvents



Latest News

Taufique to spend the summer at PNNL
MAY 22, 2017 

Taufique will spend the summer as an intern at the Pacific Northwest National Lab. He will perform molecular modeling of water, alcohol and ions in graphene oxide membranes.

CNL’s work is featured in The Daily Evergreen
APRIL 25, 2017 

CNL’s ongoing research on sodium batteries has been reported in The Daily Evergreen! Here is a link to the article.

Taufique’s poster nominated as one of the best posters at the 2017 MRS Spring Meeting
APRIL 19, 2017 

Congratulations to Taufique for being selected a nominee for the best poster award at the 2017 MRS Spring Meeting!

The poster describes CNL’s ongoing efforts in modeling …..

WSU News features CNL’s ongoing efforts on Na-ion batteries
APRIL 11, 2017 

Recent WSU News post on “Safe, low-cost sodium battery nets $500k research grant” features CNL’s engagement in modeling all solid state sodium batteries. See details by visiting the link:

Taufique and Aniruddha to present at MRS Spring Meeting
FEBRUARY 26, 2017 

Taufique and Aniruddha, graduate students at CNL, will present their work on perovskite solar cells and Na-ion batteries in the MRS Spring Meeting to be held in Phoenix this April.

Both Taufique and Aniruddha were awarded the Alaska Airlines travel grant to attend the conference.

Congratulations to Aniruddha for winning the travel grant from Alaska Airlines!
NOVEMBER 30, 2016 

Aniruddha Dive, a PhD candidate at PNNL, has been awarded the highly competitive Alaska Airlines travel grant  to present his research on batteries at the MRS Spring meeting in Phoenix in 2017.

Recently published work from CNL featured as research highlight at JCESR
JULY 23, 2016 

Recent work on calculation of electrochemical stability of electrolytes has been featured as Research Highlight …

Dr. Banerjee invited to present at the Theory and Applications of Computational Chemistry (TACC) conference
JULY 19, 2016 

Dr. Soumik Banerjee will give a talk on modeling electrolytes and electrode-electrolyte interfaces of lithium batteries…..

Dr. Banerjee to give invited talk at the NSF-IUSSTF Indo-US Workshop on Analysis of Multiphysics Phenomena in Li-ion Cells
JUNE 1, 2016 

Dr. Soumik Banerjee has been invited to present his work on modeling electrolytes and electrode-electrolyte interfaces of lithium batteries…….

For earlier updates and news from CNL, please visit the News Archive