dr. R.L. Shinde (Ravindra)

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 personal websites:

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)

Faculty of Science and Technology (TNW), Computational Chemical Physics (CCP)

Research Interests

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

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. (2023). TREXIO: A file format and library for quantum chemistry. The Journal of chemical physics, 158(17), Article 174801. https://doi.org/10.1063/5.0148161

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. (2023). Trexio: A File Format and Library for Quantum Chemistry. ArXiv.org. https://doi.org/10.48550/arXiv.2302.14793

Shinde, R. L., Landinez Borda, E. J., Shepard, S., Cuzzocrea, A., Scemama, A. , & Filippi, C. (2022). Championing stochastic electronic structure methods with CHAMP. Poster session presented at Psi-k Conference 2022, Lausanne, Switzerland. https://doi.org/10.5281/zenodo.7107334

Yamijala, S. S. R. K. C. , Shinde, R., Hanasaki, K., Ali, Z. A., & Wong, B. M. (2022). Photo-induced degradation of PFASs: Excited-state mechanisms from real-time time-dependent density functional theory. Journal of hazardous materials, 423(Part A), Article 127026. https://doi.org/10.1016/j.jhazmat.2021.127026

Maity, N., Srivastava, P., Mishra, H. , Shinde, R., & Kumar Singh, A. (2021). Anisotropic Interlayer Exciton in GeSe/SnS van der Waals Heterostructure. The journal of physical chemistry letters, 12(7), 1765-1771. https://doi.org/10.1021/acs.jpclett.0c03469

Shinde, R., Yamijala, S. S. R. K. C., & Wong, B. M. (2021). Improved band gaps and structural properties from Wannier–Fermi–Löwdin self-interaction corrections for periodic systems. Journal of physics: Condensed matter, 33(11), Article 115501. https://doi.org/10.1088/1361-648X/abc407

Aquino, F. W. , Shinde, R., & Wong, B. (2020). Fractional Occupation Numbers and SIC-Scaling Methods with the Fermi-Lowdin Orbital SIC Approach. ChemRxiv. https://doi.org/10.26434/chemrxiv.11663805.v2