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Hire Dr. Swetarekha R.

India

USD 35 /hr

Theoretician (DFT) with experience in electronic structure analysis & magnetic catalyst

Profile Summary

I had completed my Ph.D in computational material science from IIT Hyderabad in May 2014. I was awarded the Young scientist award in physics from Dr. K.V Rao scientific society in 2013, Telangana. India and awarded for outstanding academic performance at IIT-Hyderabad, Hyderabad, Telangana. India in 2011. I had worked with Prof. U V Waghmare in JNCASR, Bangalore, India, as a research associate from March-2016 to Oct-2018. Prior to this, I worked as an Assistant Professor from July-2014 to Feb-2016 in Dayananda Sagar college of engineering, Bangalore, India. I have been involved in doing ab-initio study in different types of materials like magnetic materials, intermetallic, superconducting materials, interface study in semiconductor materials, etc. Currently, my research interest is focused on catalysis.

Subject Matter Expertise

• ★ Catalysis
• ★ Condensed Matter Physics
• ★ Computational Physics
• ☆ Materials Science & Engineering
• ☆ Nanotechnology & Nanomaterials
• ☆ Physical Chemistry
• ☆ Computational Chemistry
• ☆ Theoretical Physics
• ☆ High-Pressure Physics
• ☆ Solar Physics

Services

• Writing
• Research
• Data & AI
• Product Development

Writing Technical Writing

Research Market Research, User Research, Meta-Research, Feasibility Study, Gap Analysis, Systematic Literature Review

Data & AI Statistical Analysis

Product Development Product Validation

Work Experience

Post doctoral researcher

ikst

March 2019 - Present

Research Assistant - Research Associate

JNCASR, India

March 2016 - October 2018

Asst.Prof

dayanand sagar of engineering colleage

July 2014 - February 2016

Education

Doctorate

IIT hyderabad

January 2010 - May 2014

Certifications

• Certification details not provided.

Publications

JOURNAL ARTICLE

Identifying the Critical Surface Descriptors for the Negative Slopes in the Adsorption Energy Scaling Relationships via Density Functional Theory and Compressed Sensing @article{2021, doi = {10.1021/acs.jpclett.1c02356}, url = {https://doi.org/10.1021%2Facs.jpclett.1c02356}, year = 2021, month = {oct}, publisher = {American Chemical Society ({ACS})}, volume = {12}, number = {40}, pages = {9791--9799}, author = {Swetarekha Ram and Seung-Cheol Lee and Satadeep Bhattacharjee}, title = {Identifying the Critical Surface Descriptors for the Negative Slopes in the Adsorption Energy Scaling Relationships via Density Functional Theory and Compressed Sensing}} . The Journal of Physical Chemistry Letters.

MatScIE: An automated tool for the generation of databases of methods and parameters used in the computational materials science literature @article{2021, doi = {10.1016/j.commatsci.2021.110325}, url = {https://doi.org/10.1016%2Fj.commatsci.2021.110325}, year = 2021, month = {may}, publisher = {Elsevier {BV}}, volume = {192}, pages = {110325}, author = {Souradip Guha and Ankan Mullick and Jatin Agrawal and Swetarekha Ram and Samir Ghui and Seung-Cheol Lee and Satadeep Bhattacharjee and Pawan Goyal}, title = {{MatScIE}: An automated tool for the generation of databases of methods and parameters used in the computational materials science literature}} . Computational Materials Science.

Adsorption energy scaling relation on bimetallic magnetic surfaces: role of surface magnetic moments @article{2020, doi = {10.1039/d0cp01382j}, url = {https://doi.org/10.1039%2Fd0cp01382j}, year = 2020, publisher = {Royal Society of Chemistry ({RSC})}, volume = {22}, number = {32}, pages = {17960--17968}, author = {Swetarekha Ram and Seung-Cheol Lee and Satadeep Bhattacharjee}, title = {Adsorption energy scaling relation on bimetallic magnetic surfaces: role of surface magnetic moments}} . Physical Chemistry Chemical Physics.

Skutterudites under pressure: An ab initio study @article{2014, doi = {10.1063/1.4867041}, url = {https://doi.org/10.1063%2F1.4867041}, year = 2014, month = {mar}, publisher = {{AIP} Publishing}, volume = {115}, number = {9}, pages = {093903}, author = {Swetarekha Ram and V. Kanchana and M. C. Valsakumar}, title = {Skutterudites under pressure: An ab initio study}} . Journal of Applied Physics.

Lattice dynamics and superconducting properties of antiperovskite La3InZ (Z=N,O) @article{2014, doi = {10.1016/j.ssc.2013.11.032}, url = {https://doi.org/10.1016%2Fj.ssc.2013.11.032}, year = 2014, month = {mar}, publisher = {Elsevier {BV}}, volume = {181}, pages = {54--59}, author = {Swetarekha Ram and V. Kanchana}, title = {Lattice dynamics and superconducting properties of antiperovskite La3InZ (Z=N,O)}} . Solid State Communications.

Importance of ligands in the electronic properties of FeTe0.6Se0.4 @article{2013, doi = {10.1063/1.4827192}, url = {https://doi.org/10.1063%2F1.4827192}, year = 2013, month = {oct}, publisher = {{AIP} Publishing}, volume = {114}, number = {16}, pages = {163906}, author = {Ganesh Adhikary and Deepnarayan Biswas and Nishaina Sahadev and Swetarekha Ram and V. Kanchana and C. S. Yadav and P. L. Paulose and Kalobaran Maiti}, title = {Importance of ligands in the electronic properties of {FeTe}0.6Se0.4}} . Journal of Applied Physics.

Fermi surface properties of AB3(A = Y, La; B = Pb, In, Tl) intermetallic compounds under pressure @article{2013, doi = {10.1088/0953-8984/25/15/155501}, url = {https://doi.org/10.1088%2F0953-8984%2F25%2F15%2F155501}, year = 2013, month = {mar}, publisher = {{IOP} Publishing}, volume = {25}, number = {15}, pages = {155501}, author = {Swetarekha Ram and V Kanchana and A Svane and S B Dugdale and N E Christensen}, title = {Fermi surface properties of {AB}3(A = Y, La$\mathsemicolon$ B = Pb, In, Tl) intermetallic compounds under pressure}} . Journal of Physics: Condensed Matter.

Fermi surface properties of AB3(A = Y, La$\mathsemicolon$ B = Pb, In, Tl) intermetallic compounds under pressure @article{2013, doi= {10.1088/0953-8984/25/15/155501}, url= {https://doi.org/10.1088/0953-8984/25/15/155501}, year= {2013}, month= {mar}, publisher= {{IOP} Publishing}, volume= {25}, number= {15}, pages= {155501}, author= {Swetarekha Ram and V Kanchana and A Svane and S B Dugdale and N E Christensen}, title= {Fermi surface properties of {AB}3(A = Y, La$\mathsemicolon$ B = Pb, In, Tl) intermetallic compounds under pressure}, abstract= {The electronic structures, densities of states, Fermi surfaces and elastic properties of AB3 (A  =La, Y; B  =Pb, In, Tl) compounds are studied under pressure using the full-potential linear augmented plane wave (FP-LAPW) method within the local density approximation for the exchange–correlation functional and including spin–orbit coupling. Fermi surface topology changes are found for all the isostructural AB3 compounds under compression (at V/V0 = 0.90 for LaPb3 (pressure = 8 GPa), at V/V0 = 0.98 for AIn3 (pressure = 1.5 GPa), at V/V0 = 0.80 for ATl3 (pressure in excess of 18 GPa)) apart from YPb3, although its electronic structure at zero pressure is very similar to that of LaPb3. For LaPb3 a softening of the C44 elastic constant under pressure (equivalent to 8 GPa) may be related to the appearance of a new hole pocket around the X point. From the calculated elastic properties and other mechanical properties, all the compounds investigated are found to be ductile in nature with elastic anisotropy. The states at the Fermi level (EF) are dominated by B p states with significant contributions from the A d states. For the La compounds, small hybridizations of the La f states also occur around EF.}} .

Electronic topological transition in LaSn3under pressure @article{2012, doi = {10.1103/physrevb.85.174531}, url = {https://doi.org/10.1103%2Fphysrevb.85.174531}, year = 2012, month = {may}, publisher = {American Physical Society ({APS})}, volume = {85}, number = {17}, author = {Swetarekha Ram and V. Kanchana and G. Vaitheeswaran and A. Svane and S. B. Dugdale and N. E. Christensen}, title = {Electronic topological transition in {LaSn}3under pressure}} . Physical Review B.

Electronic structure and mechanical properties of Sc3AC (A = Al, Ga, In, Tl) and Sc3BN(B = Al, In): Ab-initio study @article{2012, doi = {10.1016/j.intermet.2011.12.014}, url = {https://doi.org/10.1016%2Fj.intermet.2011.12.014}, year = 2012, month = {apr}, publisher = {Elsevier {BV}}, volume = {23}, pages = {39--48}, author = {V. Kanchana and Swetarekha Ram}, title = {Electronic structure and mechanical properties of Sc3AC (A~=~Al, Ga, In, Tl) and Sc3BN(B~=~Al, In): Ab-initio study}} . Intermetallics.

Ab initiostudy of Heusler alloys Co2XY (X = Cr, Mn, Fe; Y = Al, Ga) under high pressure @article{2011, doi = {10.1080/09500839.2011.594813}, url = {https://doi.org/10.1080%2F09500839.2011.594813}, year = 2011, month = {aug}, publisher = {Informa {UK} Limited}, volume = {91}, number = {8}, pages = {545--553}, author = {Swetarekha Ram and Mudavath Rahul Chauhan and Kunal Agarwal and V. Kanchana}, title = {Ab initiostudy of Heusler alloys Co2XY (X{\hspace{0.167em}}={\hspace{0.167em}}Cr, Mn, Fe$\mathsemicolon$ Y{\hspace{0.167em}}={\hspace{0.167em}}Al,{\hspace{0.167em}}Ga) under high pressure}} . Philosophical Magazine Letters.