Shobhana Narasimhan

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Shobhana Narasimhan
NationalityIndian
Alma materHarvard University, Indian Institute of Technology Bombay, St. Xavier's College, Mumbai
AwardsStree Shakti Samman Science Award, 2010, Kalpana Chawla Woman Scientist Award of the Government of Karnataka, 2010
Scientific career
FieldsComputational Nanoscience
InstitutionsJawaharlal Nehru Centre for Advanced Scientific Research
Doctoral advisorDavid Vanderbilt

Shobhana Narasimhan is an Indian academic who is Professor of Theoretical Sciences at the Jawaharlal Nehru Centre for Advanced Scientific Research in Bangalore, India. Her main area of interest is computational nanoscience. Her research examines how the lowering of dimensionality and reduction of size affect material properties.[1] She is a Fellow of the Indian Academy of Sciences.[2]

Education and career[edit]

Narasimhan earned her B.Sc. in Physics from St. Xavier's College, Mumbai in 1983 and her M.Sc. in Physics from IIT Bombay in 1985. She received her Ph.D. in Theoretical Physics from Harvard University in 1991 where she was advised by David Vanderbilt.[3] Subsequently, she did her postdoctoral work at Brookhaven National Laboratory, USA and at Fritz-Haber-Institut of the Max Planck Society in Berlin, Germany. She joined the Theoretical Sciences Unit of Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, India as a faculty member in 1996.[4] She was formerly Chair of the Theoretical Sciences Unit and Dean of Academic Affairs at JNCASR.

Research Interests[edit]

Shobhana Narasimhan's group primarily focuses on exploring the novel physics and chemistry of materials at nanoscale. The group uses this nanoscale understanding to design materials with novel functionalities by using quantum mechanical density functional theory.[5] The group uses theoretical first principles without any empirical input (apart from atomic numbers and masses) to derive information about the material structure and its functional properties. While the nature of research of highly fundamental, the results have been applied to developing nanocatalysts for clean energy and designing magnetic materials for data storage . The research falls under the category of computational nanotechnology[6] in the field of condensed matter physics. The group is currently aiming to develop microscopic descriptors[7] that can be correlated with the macroscopic properties of the material as an alternative to performing density functional theory calculations or conducting empirical studies[8] and supplement these descriptors by using machine learning approaches.[9]

Some sub-topics of interest include:

  • Rational design of catalysts - The group has conducted theoretical studies in collaboration with Stefano de Gironcoli from SISSA, Triesteto to show that the morphology of gold nanoparticles switches from 3D shapes to 2D ones upon doping the oxide substrate (that supports the gold nanoparticles) with an electron donor . A collaboration with the group of H-J Freund in Berlin indeed showed that 2D gold clusters on oxide substrate function as better catalysts[10]
  • Mixing and Magnetism on surfaces - The theoretical calculations conducted by the group showed that alloying in a system is driven by magnetism as opposed to the generally believed reduction of surface stress[11]
  • Gas storage - The group has collaborated with Ganapathy Ayappa at the Indian Institute of Science and BPCL to study hydrogen storage for future energy applications.[12] Ab initio density functional calculations on different graphene-based systems are used to assess and formulate strategies for enhancing the adsorptive capacity of carbon[13]

The group is also looking at spintronics to control properties such as magnetoresistance[14] and exploring new aspects of magnetism at nanoscale such as spin spirals.[15]

Teaching and Contribution to Women in Sciences[edit]

Narasimhan has a strong interest in innovative teaching methods and organized and participated in many interactive workshops in several countries such as China, Ethiopia, South Africa, Iran, USA and India.[16] As part of the Quantum ESPRESSO group and the African School for Electronic Structure Methods and Applications (ASESMA),[17] Narasimhan has taught solid state physics and density functional theory through workshops in Asia and Africa.[18][19] She is keen on promoting participation of women in science. She was a member of Working Group for Women in Physics of IUPAP.[20] As a member of the Standing Committee on Women in Science[21] and National Task Force on Women in Science[22] she has made recommendations on how government should change its policies to promote female participation in sciences. Some of these recommendations include having at least one woman member in every hiring, promotion and award committee, ensuring flexi-time for women and increasing days of maternity leave.[23] She has also organized several Career Development Workshops since 2013 for Women in Physics at the International Centre for Theoretical Physics in Trieste, Italy[24] and at the East African Institute for Fundamental Research[25] in Kigali, Rwanda.[26] As part of her paper titled, Leaving and Entering a Career in Physics,[27] Narasimhan studied factors that cause women to leave physics and the effect of taking a break on their career. The possibility of a flexible career path and ways to retain female physicists were also discussed.[28]

Recognition[edit]

She was named a Fellow of the American Physical Society in 2022 "for significant contributions to promoting diversity, combating discrimination in the physics community, and conceiving and organizing Career Development Workshops for Women in Physics that have had a transformative effect on the trajectories of female physicists".[29]

Public Lectures and Seminars[edit]

Technical Presentations[edit]

  1. Agents of Change: The Role of Catalysts in Modern World
  2. Using Descriptors to Design Novel Nanomaterials
  3. New Horizons in Physics
  4. Rational Design of Catalysts
  5. Effective ways to write research articles

Talks on Women in STEM[edit]

  1. Why it is (still) difficult to be a woman in science
  2. “No longer alone!”: Career Development Workshops for Women in Physics
  3. Indian Women in Stem

Publications[edit]

Shobhana Narasimhan publications as indexed on the group webpage.

References[edit]

  1. ^ "Shobhana Narasimhan: Research Interests". Retrieved 22 August 2021.
  2. ^ "Fellows, Indian Academy of Sciences, India". Indian Academy of Sciences. Retrieved 22 August 2021.
  3. ^ "Harvard PhD Theses in Physics: 1971-1999". Harvard PhD Theses in Physics: 1971-1999. Retrieved 22 August 2021.
  4. ^ "Faculty, Theoretical Sciences Unit, JNCASR". Jawaharlal Nehru Centre for Advanced Scientific Research. Retrieved 22 August 2021.
  5. ^ "Shobhana Narasimhan - Research". old.jncasr.ac.in. Retrieved 22 August 2021.
  6. ^ "Computational nanotechnology - Latest research and news | Nature". www.nature.com. Retrieved 12 September 2021.
  7. ^ Zalake, Pratap; Ghosh, Sukanya; Narasimhan, Shobhana; Thomas, K. George (12 September 2017). "Descriptor-Based Rational Design of Two-Dimensional Self-Assembled Nanoarchitectures Stabilized by Hydrogen Bonds". Chemistry of Materials. 29 (17): 7170–7182. doi:10.1021/acs.chemmater.7b01183. ISSN 0897-4756.
  8. ^ Ghosh, Sukanya; Mammen, Nisha; Narasimhan, Shobhana (10 April 2020). "Support work function as a descriptor and predictor for the charge and morphology of deposited Au nanoparticles". The Journal of Chemical Physics. 152 (14): 144704. Bibcode:2020JChPh.152n4704G. doi:10.1063/1.5143642. ISSN 0021-9606. PMID 32295372. S2CID 215793867.
  9. ^ Narasimhan, Shobhana (1 April 2020). "A handle on the scandal: Data driven approaches to structure prediction". APL Materials. 8 (4): 040903. Bibcode:2020APLM....8d0903N. doi:10.1063/5.0003256.
  10. ^ Mammen, Nisha; Narasimhan, Shobhana (1 November 2018). "Inducing wetting morphologies and increased reactivities of small Au clusters on doped oxide supports". The Journal of Chemical Physics. 149 (17): 174701. Bibcode:2018JChPh.149q4701M. doi:10.1063/1.5053968. ISSN 0021-9606. PMID 30408976. S2CID 53248309.
  11. ^ Marathe, Madhura; Díaz-Ortiz, Alejandro; Narasimhan, Shobhana (26 December 2013). "Ab initio and cluster expansion study of surface alloys of Fe and Au on Ru(0001) and Mo(110): Importance of magnetism". Physical Review B. 88 (24): 245442. Bibcode:2013PhRvB..88x5442M. doi:10.1103/PhysRevB.88.245442.
  12. ^ Wood, Brandon C.; Bhide, Shreyas Y.; Dutta, Debosruti; Kandagal, Vinay S.; Pathak, Amar Deep; Punnathanam, Sudeep N.; Ayappa, K. G.; Narasimhan, Shobhana (1 August 2012). "Methane and carbon dioxide adsorption on edge-functionalized graphene: A comparative DFT study". The Journal of Chemical Physics. 137 (5): 054702. arXiv:1203.1351. Bibcode:2012JChPh.137e4702W. doi:10.1063/1.4736568. ISSN 0021-9606. PMID 22894366. S2CID 2700914.
  13. ^ Chouhan, Rajiv K.; Ulman, Kanchan; Narasimhan, Shobhana (27 July 2015). "Graphene oxide as an optimal candidate material for methane storage". The Journal of Chemical Physics. 143 (4): 044704. arXiv:1504.07994. Bibcode:2015JChPh.143d4704C. doi:10.1063/1.4927141. ISSN 0021-9606. PMID 26233154. S2CID 36584616.
  14. ^ Ulman, Kanchan; Narasimhan, Shobhana; Delin, Anna (28 January 2014). "Tuning spin transport properties and molecular magnetoresistance through contact geometry". The Journal of Chemical Physics. 140 (4): 044716. Bibcode:2014JChPh.140d4716U. doi:10.1063/1.4862546. ISSN 0021-9606. PMID 25669576.
  15. ^ Biswas, Sananda; Bihlmayer, Gustav; Narasimhan, Shobhana; Blügel, Stefan (9 May 2014). "Spin Spirals in Surface Alloys on Ru(0001): A First-principles Study". arXiv:1405.2152 [cond-mat.mtrl-sci].
  16. ^ Blitzer, Eli, ed. (1 January 2009). Higher Education in South Africa - A scholarly look behind the scenes. AFRICAN SUN MeDIA. doi:10.18820/9781920338183. hdl:10019.1/101826. ISBN 9781920338183.
  17. ^ "ASESMA". sites.google.com. Retrieved 12 September 2021.
  18. ^ "Professor Shobhana Narsimhan Elected To American Academy Of Arts And Sciences". NDTV.com. Retrieved 23 August 2021.
  19. ^ "Materials Cloud". www.materialscloud.org. Retrieved 23 August 2021.
  20. ^ Sharma, Shruti (25 June 2019). "Meet Dr. Shobhana Narasimhan: Professor of Theoretical Sciences". Nanotech NYC. Retrieved 22 August 2021.
  21. ^ https://dst.gov.in/sites/default/files/Standing-Committee-OM-Composition.pdf [bare URL PDF]
  22. ^ "About | Women in Science | Initiatives | Indian Academy of Sciences".
  23. ^ "Behind the scenes in science". Deccan Herald. 11 September 2009. Retrieved 23 August 2021.
  24. ^ "ICTP - Working Towards Gender Equity, One Workshop at a Time". www.ictp.it. Retrieved 23 August 2021.
  25. ^ "HomePage | EAIFR". eaifr.ictp.it. Retrieved 12 September 2021.
  26. ^ "ICTP - Empowering Women in Science". www.ictp.it. Retrieved 23 August 2021.
  27. ^ Narasimhan, Shobhana; Tajima, Setsuko; Yoon, Jin-Hee (28 February 2013). "Leaving and entering a career in physics". AIP Conference Proceedings. 1517 (1): 30–32. Bibcode:2013AIPC.1517...30N. doi:10.1063/1.4794215. ISSN 0094-243X.
  28. ^ Narasimhan, Shobhana; Tajima, Setsuko; Yoon, Jin-Hee (28 February 2013). "Leaving and entering a career in physics". AIP Conference Proceedings. 1517 (1): 30–32. Bibcode:2013AIPC.1517...30N. doi:10.1063/1.4794215. ISSN 0094-243X.
  29. ^ "Fellows nominated in 2022". APS Fellows archive. American Physical Society. Retrieved 19 October 2022.
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