Professional Experience

Staff Scientist (Materials Science and Technology Division)

Los Alamos National Laboratory [09/2016 – present]

· Machine learning & high throughput screening of functional materials.

· Electronic structure theory, ab initio MD and Monte Carlo simulations.

· Scintillators and semiconductor detector materials.

· Polymer dielectrics design.

· Radiation tolerant complex oxides (spinels, pyrochlores, perovskites...)

Director’s Postdoctoral Fellow

Materials Science & Technology Division

Los Alamos National Laboratory [08/2014 – 09/2016]

· machine learning & computational design of functional materials.

· Cation ordering and multiferroicity in Perovskites and Double Perovskites.

· Metal-oxide and oxide-oxide interfaces.

Postdoctoral Research Fellow

Materials Science & Technology Division

Los Alamos National Laboratory [03/2013 – 08/2014]

· Misfit dislocations at metal-oxide and oxide-oxide interfaces.

· Atomistic simulations using charge transfer ionic potentials.

Postdoctoral Research Fellow

Materials Science & Engineering and Institute of Materials Science

University of Connecticut [05/2012 – 03/2013]

· Rational design of polymer dielectrics for high energy density capacitors.

· Acceleration of materials property predictions using machine learning.

Visiting Researcher

Theory Department,

Fritz-Haber-Institut (FHI) of the Max Planck Society

Berlin, Germany [08/2010 – 11/2010]

Graduate Research Fellow

Materials Science & Engineering and Institute of Materials Science

University of Connecticut [08/2007 – 05/2012]

Undergraduate Summer Researcher

Materials Science & Engineering

Royal Institute of Technology (KTH)

Stockholm, Sweden [05/2006 – 07/2006]

Undergraduate Research Assistant

Metallurgical & Materials Engineering

Indian Institute of Technology (IIT),

Roorkee, India [08/2005 – 05/2007]

Professional Memberships

• American Ceramic Society (ACerS)

• American Chemical Society (ACS)

• American Physical Society (APS)

• Materials Research Society (MRS)

Leadership Activities

• Co-organizer for Session Recent Advances in Computer-aided Materials Design at Materials Science & Technology, Pittsburgh, Pennsylvania, USA, October 2017.

• Co-organizer for Session: S4 Computational Design of Electronic Materials at American Ceramic Society's Electronic Materials and Applications meeting, Orlando, Florida, USA, January 2017.

• Co-organizer for Session: S6 Computational Design of Electronic Materials at American Ceramic Society's Electronic Materials and Applications meeting, Orlando, Florida, USA, January 2016.

• Co-organizer for Session: S3 Computational Design of Electronic Materials at American Ceramic Society's Electronic Materials and Applications meeting, Orlando, Florida, USA, January 2015.

• Co-organizer for Session: S7 Computational Design of Electronic Materials at American Ceramic Society's Electronic Materials and Applications meeting, Orlando, Florida, USA, January 2014.

• Session chair for session Polymer Capacitor Dielectrics, Division of Polymer Chemistry at American Chemical Society's 246th National Meeting and Exposition, Indianapolis, Indiana, September 2013.

• Session chair for session QQ6: Databases, Apps, and Numerical Methods (Symposium QQ: Materials Informatics) at 2012 Materials Research Society’s Fall Meeting & Exhibit, Boston, MA, November 2012.

• President of the Materials Research Society's University of Connecticut student chapter (2011-2012).

Awards & Honors

• Alexander von Humboldt fellowship to work at the Fritz Haber Institute of the Max Planck Society [2017- 2018].

• Director’s postdoctoral fellowship at Los Alamos National Laboratory [08/2014–09/2016].

• Research work selected as feature article for POLYMER [Vol. 55, Issue 4, 02/2014].

• Research work highlighted and discussed in American Ceramic Society’s ceramic tech today [2014].

• Outstanding Graduate Student Award 2012 (University of Connecticut). One award each year out of ~35 graduate students. Awarded based on academic & research accomplishments, leadership and outreach.

• Best Poster Award (1 out of about ~50 contributing posters) in Symposium Ferroelectric and Multiferroic Materials at Materials Research Society’s Fall Meeting 2011, Boston, MA.

• Scholarship to visit Fritz-Haber-Institute of Max Planck Society, Berlin, Germany (~50 scholarships around the globe). The scholarship was awarded to attend “Hands-on Tutorial Workshop 2011 on Ab Initio Molecular Simulations” held at Fritz-Haber-Institute of Max Planck Society, Berlin, Germany [07/2011].

• Doctoral Dissertation Preparation Graduate Fellowship awarded by Graduate School, University of Connecticut.

• Recipient of the University of Connecticut Office of Graduate Studies travel award.

• Secured second place at American Society for Metals sponsored Student Speaking Contest held at Hartford, Connecticut.

• Awarded National Science Foundation funded international travel grant award from Materials Computation Center, University of Illinois Urbana Champaign [2010].

• Mrs. Leila Saxena Award: for maintaining the highest GPA (8.87/10) throughout the IV-year undergraduate Bachelor of Technology (B.Tech.) degree at Indian Institute of Technology (IIT), Roorkee [05/2007].

• Institute Silver Medal: Awarded for best undergraduate research project in the senior year. One award in each engineering department (~10 awards out of 400 students at institute level) [2007].

• Exchange Program's Full Scholarship as an undergraduate to visit Royal Institute of Technology (KTH), Stockholm, Sweden [2006].

• IIT-JEE 2003 Entrance Exam Top 1% out of 2,50,000 applicants in all India joint entrance examination [2003].

• Silver Medal in National Talent Search Contest (Mathematics). Secured 96% marks in the all-India Search Contest [1997].