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neelravi/README.md

Research Scientist | HPC Software Developer

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Ravindra's GitHub stats Top Programming Languages

Latest list of Publications

TREXIO: A file format and library for quantum chemistry

Posenitskiy, Evgeny and Chilkuri, Vijay Gopal and Ammar, Abdallah and Hapka, Michal and Pernal, Katarzyna and Shinde, Ravindra and Landinez Borda, Edgar Josue and Filippi, Claudia and Nakano, Kosuke and Kohulak, Otto and Sorella, Sandro and de Oliveira Castro, Pablo and Jalby, William and Rios, Pablo Lopez and Alavi, Ali and Scemama, Anthony J. Chem Phys, 2023, 158, 17, DOI: 10.1063/5.0148161


Photo-induced degradation of PFASs: Excited-state mechanisms from real-time time-dependent density functional theory

Sharma Yamijala, Ravindra Shinde, Kota Hanasaki, Zulfikhar Ali, and Bryan Wong J. Hazard Mat, 2022, 423, 127026, DOI: 10.1016/j.jhazmat.2021.127026


Anisotropic Interlayer Exciton in GeSe/SnS van der Waals Heterostructure

Nikhilesh Maity, Pooja Srivastava, Himani Mishra, Ravindra Shinde, Abhishek Kumar Singh, J. Phys. Chem. Lett, 2021, 12, 1765, DOI: 10.1021/acs.jpclett.0c03469


Improved band gaps and structural properties from Wannier–Fermi–Lowdin self-interaction corrections for periodic systems

Ravindra Shinde, Sharma Yamijala, J. Phys: Cond. Mat., 2020, 33, 115501, DOI: 10.1088/1361-648x/abc407


Pinned Loading

  1. trex-parser trex-parser Public

    Bison/Yacc and Flex based parser

    C 1

  2. TREX-CoE/fparser TREX-CoE/fparser Public

    Fortran 1

  3. libfdf libfdf Public

    Roff 1