Nitant Gupta

Address: 5407 Winterhaven Dr

Newark · DE 19702
Phone: 832 · 782 · 8031
Email: nitant.gupta.03@gmail.com (primary)
nitant@udel.edu

Educational Qualifications

PhD Materials Science & Nanoengineering Aug 2015 – Dec 2021

Rice University, TX | GPA: 3.9/4 | Adviser: Boris I. Yakobson
Thesis title: “Theoretical and Computational Investigations into the Nanomechanics and Growth of Low
Dimensional Materials”. Defended on 08 Oct 2021, at 1 pm in Houston TX.

M.S. Materials Science & Nanoengineering Aug 2014 – May 2015

Rice University, TX | GPA: 4/4

B.E. (Hons.) Mechanical Engineering Aug 2008 – May 2012

Birla Institute of Technology and Science, Pilani - Goa Campus, India

Experience

Postdoctoral Research Associate at Jayaraman Lab

Dept. of Chemical Engineering, University of Delaware Feb 2022 – Present
▪ Postdoctoral research work on computational modelling of soft materials and polymeric structures to
establish their structure-property relationships. Worked to develop a computational method that creates 3D
structures of anisotropic particles with targeted distributions of particle shape, size and orientation. This
method will be incorporated with the CREASE workflow to identify structure of materials from their small
angle scattering profiles.

Graduate Research Assistant in Yakobson Research Group

Dept. of Materials Science & Nanoengineering, Rice University Nov 2014 – Dec 2021
▪ Doctoral research work on the theory and computational modelling of low dimensional materials to study
their synthesis, properties, and applications.
▪ Special focus on mechanical properties of 1D/2D materials, such as elasticity, strength, toughness, or fatigue
behaviour.
▪ Investigated the fundamental theory of growth of infinitely large single crystals of 2D materials
▪ Understanding structure-property correlations affecting both the mechanics and materials synthesis.
▪ Exploration of defects morphology, and what is the ultimate effect on the structure
▪ Developed models on 2D material growth over curved topographies, and their stabilization.

Research (Undergrad) Trainee

CSIR-National Aerospace Laboratories, India Jul 2011 – May 2014
▪ Experimental research on nanomaterial synthesis of superhydrophobic surfaces and SERS substrates.
▪ Worked with PVD (sputter deposition) systems to impart nanoscale roughness/topography to different
substrates.

Summer Intern
Precision Tech Enterprises, India Jun 2010 – Jul 2010 (6 weeks)
▪ Practical hands-on experience with manufacturing of automotive plastic components through injection
moulding process, monitoring their production rate, and proposed simple solutions for optimization.
▪ Modelled storage facility and helped in organization of store inventory.

Technical Skills

Engineering and Software Tools:

▪ Programming Languages: C/C++, MATLAB, Mathematica, Python
▪ Theoretical Modelling/Simulations: LAMMPS, DFTB+, VASP
▪ CAD/FEM Analysis: Sketchup, ANSYS, COMSOL, AutoCAD, Pro-Engineer
▪ Graphics/Plotting/Animation: GIMP, Gnu plot, TikZ, Blender, Photoshop, Flash, Origin
▪ Word Processing/Typesetting: Microsoft Office, LaTeX

Analytical/Experimental Techniques:
▪ Academic writing of experimental results in the form of reports and manuscripts.
▪ Preparation of high-quality illustrations and artwork to explain scientific results (including cover-art).
▪ Oral presentation of academic concepts (participated in seminar talks, classroom lectures).
▪ Operation of sputtering systems for multi-layered thin films and coatings.
▪ Analysis and interpretation of characterization data such as SEM, AFM, micro-Raman, XPS, EDS, IR, PL,
XRD

Complete List of Publications

1. “Computational Approach for Structure Generation of Anisotropic Particles (CASGAP) with Targeted
Distributions of Particle Design and Orientational Order” link
N. Gupta, and A. Jayaraman. Nanoscale 15 (2023) 14958.

2. “Polycrystalline morphology and mechanical strength of nanotube fibers” link

N. Gupta, E.S. Penev and B.I. Yakobson. npj Computational Materials 8 (2022) 15.

3. “Fatigue in assemblies of indefatigable carbon nanotubes” link

N. Gupta, E.S. Penev and B.I. Yakobson. Science Advances 7 (2021) eabj6996.
Metrics: 3 citations. Rice press release

4. “Universal Strength Scaling in Carbon Nanotube Bundles with Frictional Load Transfer” link
N. Gupta, J.M. Alred, E.S. Penev and B.I. Yakobson. ACS Nano 15 (2021) 1342.
Metrics: 22 citations. Rice press release

5. “Strain tolerance of two-dimensional crystal growth on curved surfaces” link

K. Wang, N. Gupta, H. Yu, B.I. Yakobson, D.B. Geohegan and others. Science Advances 5 (2019)
eaav4028.
Metrics: 44 citations. ORNL press release, Rice press release.

6. “How the Complementarity at Vicinal Steps Enable Growth of 2D Monocrystals” link

K.V. Bets, N. Gupta and B.I. Yakobson. Nano Letters 19 (2019) 2027.
Metrics: 43 citations. Rice press release

7. “Transient Kinetic Selectivity in Nanotubes Growth on Solid Co-W Catalyst” link

E.S. Penev, K.V. Bets, N. Gupta and B.I. Yakobson. Nano Letters 18 (2018) 5288.
Metrics: 22 citations. Rice press release

8. “Evolutionary selection growth of two-dimensional materials on polycrystalline substrates” link

I.V. Vlassiouk, N. Gupta, B.I. Yakobson, S.N. Smirnov and others. Nature Materials 17 (2018) 318.
Metrics: 201 citations. Credited with main theory. ORNL press release, Rice press release, Nature press
release.

9. “Tilt grain boundary topology induced by substrate topography” link

H. Yu†, N. Gupta† (equally contributing authors), B.I. Yakobson and others. ACS Nano 11 (2017) 8612.
Metrics: 27 citations. Rice press release.

10. “Mechanics of materials creation: nanotubes, graphene, carbyne, borophenes” link

 J.M. Alred, N. Gupta, M. Liu, Z. Zhang, B.I. Yakobson. Procedia IUTAM 21 (2017) 17.
Metrics: 5 citations.

11. “Carbonization with misfusion: Fundamental limits of carbon-fiber strength revisited” link
N. Gupta, V.I. Artyukhov, E.S. Penev and B.I. Yakobson. Advanced Materials 28 (2016) 10317.
Metrics: 31 citations. Rice press release, Cover Article

12. “Thermally stable plasmonic nanocermets grown on micro-engineered surfaces as versatile SERS …” link
N. Gupta, H.C. Barshilia and others. ACS Applied Materials & Interfaces 6 (2014) 22733.
Metrics: 8 citations.

13. “Superhydrophobic polytetrafluoroethylene surfaces with leaf-like micro-protrusions through …” link

H.C. Barshilia and N. Gupta. Vacuum 99 (2014) 42.
Metrics: 81 citations.

14. “Superhydrophobicity on transparent fluorinated ethylene propylene films with nano-protrusion …” link
N. Gupta, H.C. Barshilia and others. Journal of Applied Physics 114 (2013) 164307.
Metrics: 16 citations.

15. “Superhydrophobic nanostructured Kapton® surfaces fabricated through Ar + O2 plasma …” link

H.C. Barshilia, A. Ananth, N. Gupta and C. Anandan. Applied Surface Science 268 (2013) 464.
Metrics: 39 citations.

16. “Dual-scale rough multifunctional superhydrophobic ITO coatings prepared by …” link

N. Gupta, S. Sasikala, H.C. Barshilia and others. Applied Surface Science 258 (2012) 9723.
Metrics: 25 citations.

17. “Corrosion study of superhydrophobic magnesium alloy AZ31 surfaces prepared by …” link
N. Gupta, S. Sasikala and H.C. Barshilia. Nanoscience and Nanotechnology Letters 4 (2013) 757.
Metrics: 25 citations.

Conference Presentations

▪ Delivered an invited talk at the 2023 Statistical Thermodynamics & Molecular Simulations
Virtual Seminar Series hosted by Dr. Amir Haji-Akbari (Yale U.) and Dr. Sapna Sarupria (U.
Minnesota) on July 28, 2023. link A video recording will soon be made available on YouTube.
▪ Delivered the keynote talk at the NT18 conference (2018) held at Peking University, Beijing,
China, on behalf of Dr. Yakobson on the “Crystallographic Selectivity in Growth of Graphene and
Nanotubes”.
▪ Delivered talk at program review for the Air Force Office of Scientific Research (AFOSR) in
2019 at their headquarters in Dayton, Ohio on behalf of Dr. Yakobson.
▪ Posters presented at many meetings, including NT18 conference, Guadalupe Workshop and SCI
Colloquium.

Honors and Awards

▪ 2018 Franz and Frances Brotzen Fellowship Award link administered by the Department of
Materials Science and Nanoengineering at Rice University. Fellowship amount $2000.
▪ 2018 Mildred Dresselhaus Poster Award at the NT18 conference held at Peking University,
Beijing, China. Cash prize of 2000 RMB.
▪ Honorable mention link for best poster at the 2018 Smally Curl Institute Summer
Research Colloquium. Awarded a memento of a nanotube inside a glass cube.
Extra-Curricular Activities

▪ Served as a sub-coordinator of the Robotics Club at BITS Pilani, India link. Organized several
information sessions for fellow enthusiasts including lectures on basic robotics, live demonstrations
of functioning robots, workshops, and hands-on sessions. Also participated in several robotics
competitions.
▪ Appointed as the event manager for the ASME Student Professional Development
Conference (SPDC) 2010. Managed a multinational event at BITS Pilani, India, a competition
for the robotics project for automatic waste sorter, with participants from India, Singapore, Taiwan,
and Pakistan. Oversaw the designing/building of the entire arena for the competition.