Skip to main content Skip to navigation


Soumik BanerjeeWelcome to the Computational Nanoscience Laboratory in the School of Mechanical and Materials Engineering. This group, led by Soumik Banerjee, 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 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…….

Congratulations to Mortuza on successfully defending his PhD dissertation!
MAY 2, 2016 

Mortuza successfully defended his PhD dissertation titled “Modeling Agglomeration and Deposition of Organic Nanoparticles during Solution Processing of Thin Films” on April 12th 2016. Mortuza will be moving to Ann Arbor this June…..

Ramiro wins best poster award
APRIL 4, 2016 

Ramiro Gonzalez, who is working on an ongoing project to model Li-S batteries, recently won the best poster award at the 2016 LSAMP conference poster symposium. Ramiro’s poster…..

CNL is excited to be part of a team for a new ARPA-E project titled “Low Cost, Safe, and Efficient All Solid State Sodium Batteries for Grid-scale Energy Storage and Other Applications”, in collaboration with….

CNL to participate in solar decathlon
FEBRUARY 2, 2016 

CNL is glad to be involved in WSU’s team that will design and build a solar home during the next two years as part of the U.S. Department of Energy’s Solar Decathlon competition…….

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