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Ravindra Shinde
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Improved band gaps and structural properties from Wannier–Fermi–Lwdin self-interaction corrections for periodic systems
R Shinde, SS Yamijala, BM Wong
Journal of Physics: Condensed Matter 33 (11), 115501, 2020
642020
Remarkable Hydrogen Storage on Beryllium Oxide Clusters: First Principles Calculations
R Shinde, M Tayade
The Journal of Physical Chemistry C 118 (31), 17200-17204, 2014
562014
Real-time degradation dynamics of hydrated per-and polyfluoroalkyl substances (PFASs) in the presence of excess electrons
SS Yamijala, R Shinde, BM Wong
Physical Chemistry Chemical Physics 22 (13), 6804-6808, 2020
482020
Photo-induced degradation of PFASs: Excited-state mechanisms from real-time time-dependent density functional theory
SS Yamijala, R Shinde, K Hanasaki, ZA Ali, BM Wong
Journal of hazardous materials 423, 127026, 2022
252022
Pressure-Induced Topological Phase Transitions in CdGeSb2 and CdSnSb2
R Juneja, R Shinde, AK Singh
J. Chem. Phys. Lett 9, 2202-2207, 2018
222018
Topologically Nontrivial Electronic States in CaSn3
S Gupta, R Juneja, R Shinde, AK Singh
Journal of Applied Physics 121 (21), 214901, 2017
212017
Large-scale first principles configuration interaction calculations of optical absorption in aluminum clusters
R Shinde, A Shukla
Phys Chem Chem Phys 16 (38), 20714 -- 20723, 2013
212013
Fractional occupation numbers and self‐interaction correction‐scaling methods with the Fermi‐Lwdin orbital self‐interaction correction approach
FW Aquino, R Shinde, BM Wong
Journal of computational chemistry 41 (12), 1200-1208, 2020
202020
Large-scale first principles configuration interaction calculations of optical absorption in boron clusters
R Shinde, A Shukla
Nano LIFE 2 (02), 1240004 -- 1240024, 2012
162012
TREXIO: A file format and library for quantum chemistry
E Posenitskiy, VG Chilkuri, A Ammar, M Hapka, K Pernal, R Shinde, ...
The Journal of chemical physics 158 (17), 2023
152023
Anisotropic interlayer exciton in GeSe/SnS van der Waals heterostructure
N Maity, P Srivastava, H Mishra, R Shinde, AK Singh
The journal of physical chemistry letters 12 (7), 1765-1771, 2021
152021
Multiple triple-point fermions in Heusler compounds
RK Barik, R Shinde, AK Singh
Journal of Physics: Condensed Matter 30 (37), 375702, 2018
122018
First principles electron-correlated calculations of optical absorption in magnesium clusters
R Shinde, A Shukla
The European Physical Journal D 71, 1-13, 2017
122017
Benchmarking Quantum Chemical Methods for Optical Absorption in Boron Wheels
R Shinde
ACS Omega 1 (4), 578-585, 2016
122016
Nonlinear polarization and low-dissipation ultrafast optical switching in phosphorene
R Shinde, AK Singh
The Journal of Physical Chemistry C 122 (33), 19146-19152, 2018
52018
Ab initio Calculations of Optical Properties of Clusters
R Shinde
Indian Institute of Technology Bombay, 2014
42014
Optical absorption in boron clusters B6 and B6+: a first principles configuration interaction singles approach
R Shinde, A Shukla
The European Physical Journal D 67 (5), 98, 2013
32013
Optical Absorption in B13 Cluster: A Time-Dependent Density Functional Approach
R Shinde, M Tayade
AIP Conf. Proc. 1512, 844, 2012
22012
Accurate quantum Monte Carlo forces for machine-learned force fields: Ethanol as a benchmark
E Slootman, I Poltavsky, R Shinde, J Cocomello, S Moroni, A Tkatchenko, ...
arXiv preprint arXiv:2404.09755, 2024
2024
Championing stochastic electronic structure methods with CHAMP
RL Shinde, EJL Borda, S Shepard, A Cuzzocrea, A Scemama, C Filippi
Psi-k Conference 2022, 2022
2022
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Articles 1–20