dr. R.L. Shinde (Ravindra)

Researcher and Scientific Software Engineer
TNW-NEM-CCP
r.l.shinde@utwente.nl
+31534897167
Business card

I am a theoretical and computational condensed matter physicist and quantum chemist. I am currently working as a researcher and scientific software engineer at the University of Twente, the Netherlands. My research focuses on achieving the Exascale computational performance for obtaining true chemical accuracy.

I have 10 years of total research experience, with six years in scientific code development. I have theoretically formulated new methodologies and implemented them in leading open-source codes. I have authored 16 research articles, and one book, and peer-reviewed 26 manuscripts.

I am excited and passionate about developing new ways to solve novel problems in materials science and chemistry in silico to accelerate scientific discovery.

In my free time, I do trekking, cycling, painting, sketching, and gardening


Visit my websites:

https://ravindrashinde.com for personal homepage.

https://www.neelravi.com for a tech blog

https://thescience.dev for research cover stories.

 

Experience:

  • Postdoctoral Researcher at the University of California Riverside, USA (Jan 2019 - Dec 2020)
  • SERB National Postdoctoral Fellow at Indian Institute of Science, India (May 2016 - May 2018)
  • Assistant Professor in Physics at Shivaji University, India (Jan 2016 - May 2016)
  • Postdoctoral Researcher at the University of Basque Country, Spain (Oct 2014 - Oct 2015)

Expertise

  • Chemistry

    • Electron Particle
    • Absorption Coefficient
    • First Principle
    • Excited State
    • Configuration Interaction
    • Time
    • Compound Isomer

  • Physics

    • Calculation

Organisations

Research Interests

  • Exascale Scientific Computing
  • Method Development
  • Quantum Chemistry
  • Computational Materials Science
  • Computational Physics

Publications

2023
TREXIO: A file format and library for quantum chemistry, Article 174801. Posenitskiy, E., Chilkuri, V. G., Ammar, A., Hapka, M., Pernal, K., Shinde, R., Borda, E. J. L., Filippi, C., Nakano, K., Kohulák, O., Sorella, S., Castro, P. d. O., Jalby, W., López Ríos, P., Alavi, A. & Scemama, A.https://doi.org/10.1063/5.0148161Trexio: A File Format and Library for Quantum Chemistry. ArXiv.org. Posenitskiy, E., Chilkuri, V. G., Ammar, A., Hapka, M., Pernal, K., Shinde, R., Borda, E. J. L., Filippi, C., Nakano, K., Kohulák, O., Sorella, S., Castro, P. d. O., Jalby, W., López Ríos, P., Alavi, A. & Scemama, A.https://doi.org/10.48550/arXiv.2302.14793
2022
Championing stochastic electronic structure methods with CHAMP. Shinde, R. L., Landinez Borda, E. J., Shepard, S., Cuzzocrea, A., Scemama, A. & Filippi, C.https://doi.org/10.5281/zenodo.7107334Photo-induced degradation of PFASs: Excited-state mechanisms from real-time time-dependent density functional theory, Article 127026. Yamijala, S. S. R. K. C., Shinde, R., Hanasaki, K., Ali, Z. A. & Wong, B. M.https://doi.org/10.1016/j.jhazmat.2021.127026
2021
Improved band gaps and structural properties from Wannier–Fermi–Löwdin self-interaction corrections for periodic systems, Article 115501. Shinde, R., Yamijala, S. S. R. K. C. & Wong, B. M.https://doi.org/10.1088/1361-648X/abc407Anisotropic Interlayer Exciton in GeSe/SnS van der Waals Heterostructure, 1765-1771. Maity, N., Srivastava, P., Mishra, H., Shinde, R. & Kumar Singh, A.https://doi.org/10.1021/acs.jpclett.0c03469
2020
Improved Band Gaps and Structural Properties from Wannier-Fermi-Lowdin Self-Interaction Corrections for Periodic Systems. ChemRxiv. Shinde, R., Yamijala, S. & Wong, B.https://doi.org/10.26434/chemrxiv.13088882.v1Fractional occupation numbers and self‐interaction correction‐scaling methods with the Fermi‐Löwdin orbital self‐interaction correction approach, 1200-1208. Aquino, F. W., Shinde, R. & Wong, B. M.https://doi.org/10.1002/jcc.26168Real-time degradation dynamics of hydrated per- and polyfluoroalkyl substances (PFASs) in the presence of excess electrons, 6804-6808. Yamijala, S. S. R. K. C., Shinde, R. & Wong, B. M.https://doi.org/10.1039/C9CP06797CFractional Occupation Numbers and SIC-Scaling Methods with the Fermi-Lowdin Orbital SIC Approach. ChemRxiv. Aquino, F. W., Shinde, R. & Wong, B.https://doi.org/10.26434/chemrxiv.11663805.v2Fractional Occupation Numbers and SIC-Scaling Methods with the Fermi-Lowdin Orbital SIC Approach. ChemRxiv. Aquino, F. W., Shinde, R. & Wong, B.https://doi.org/10.26434/chemrxiv.11663805.v1Real-Time Degradation Dynamics of Hydrated Perfluoroalkyl Substances (PFASs) in the Presence of Excess Electrons. ChemRxiv. Yamijala, S., Shinde, R. & Wong, B.https://doi.org/10.26434/chemrxiv.11634348.v1

Research profiles

Ph.D. in Physics 2014
Indian Institute of Technology Bombay

M.Sc. in Physics 2009
Indian Institute of Technology Bombay

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