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Computational Nanotechnology for Energy and Water

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Author: admin

Collaborative theory on electrostatic correlations published in JPCC

December 1, 2020February 21, 2021 admin

A new theory for modeling electrostatic correlations in electrical double layers, in collaboration with Profs. Ankur Gupta, Emily Carter, and Howard Stone, from University of Colorado, Boulder; University of California, Los Angeles; and Princeton University, respectively, was recently published in Read More …

Microkinetic model for water oxidation published in Energy & Environmental Science

November 13, 2020February 21, 2021 admin

Prof. Ananth’s collaborative work with Prof. Emily A. Carter of UCLA, regarding the development of a microkinetic model for oxygen evolution during water splitting, was published in Energy & Environmental Science. The work is titled “Microkinetic Model for pH- and Read More …

New method for electrocatalytic mechanism enumeration published in JPCC

November 7, 2020November 7, 2020 admin

A new article by Profs. Ananth Govind Rajan and Emily A. Carter, entitled “Discovering Competing Electrocatalytic Mechanisms and Their Overpotentials: Automated Enumeration of Oxygen Evolution Pathways” was recently published in The Journal of Physical Chemistry C. The associated code for Read More …

Collaborative theory on electrical double layers published in PRL

November 1, 2020November 1, 2020 admin

A new theory for predicting ionic concentration oscillations and overcharging in electrical double layers, in collaboration with Profs. Ankur Gupta, Emily Carter, and Howard Stone, from University of Colorado, Boulder; University of California, Los Angeles; and Princeton University, respectively, was Read More …

Paper on synthetic molecular recognition published in PNAS

October 16, 2020 admin

Ananth’s collaborative work with Prof. Michael S. Strano’s research group at MIT was recently published in the Proceedings of the National Academy of Sciences of the USA. The paper, entitled, “A synthetic mimic of phosphodiesterase type 5 based on corona Read More …

Immediate opening for a postdoc position

September 10, 2020September 19, 2020 admin

We have an open position for a postdoctoral scholar. Please reach out to Prof. Ananth Govind Rajan with your cover letter, CV, and list of references. Postdoctoral applicants should have a strong background in theoretical research, including the use of Read More …

Review paper on water splitting out in ACS Catalysis

August 22, 2020August 22, 2020 admin

Our review paper entitled “Why do we use the materials and operating conditions we use for heterogeneous (photo)electrochemical water splitting?” appeared recently in ACS Catalysis. In this review, we discuss how theory and simulations can be a valuable tool in Read More …

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Open Positions

Prospective Postdoctoral Scholars: please email Prof. Ananth Govind Rajan with your CV, cover letter, and list of references. Strong background in theoretical research, including the use of one or more of the following simulation techniques is expected: density functional theory, molecular dynamics, and kinetic Monte Carlo. Applications for the National Post Doctoral Fellowship (NPDF) as well as WISE fellowships are encouraged.

Prospective PhD/Masters Students: please apply directly to the Deparment of Chemical Engineering at IISc. Co-advised students from other departments at IISc are also welcome. Upon admission to IISc, please contact Prof. Ananth Govind Rajan via email.

Prospective Undergraduate Students: We do not have any vacancies at present.

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