Twin boundary migration in an individual platinum nanocrystal during catalytic CO oxidation J Carnis, AR Kshirsagar, L Wu, M Dupraz, S Labat, M Texier, L Favre, ...
Nature communications 12 (1), 5385, 2021
42 2021 Reconfigurable multifunctional van der Waals ferroelectric devices and logic circuits A Ram, K Maity, C Marchand, A Mahmoudi, AR Kshirsagar, M Soliman, ...
ACS nano 17 (21), 21865-21877, 2023
38 2023 Tuning gas adsorption by metal node blocking in photoresponsive metal–Organic frameworks CT Yang, AR Kshirsagar, AC Eddin, LC Lin, R Poloni
Chemistry–A European Journal 24 (57), 15167-15172, 2018
34 2018 Strongly bound excitons in metal–organic framework MOF-5: A many-body perturbation theory study AR Kshirsagar, X Blase, C Attaccalite, R Poloni
The Journal of Physical Chemistry Letters 12 (16), 4045-4051, 2021
25 2021 Accurate prediction of the S1 excitation energy in solvated azobenzene derivatives via embedded orbital-tuned Bethe-Salpeter calculations AR Kshirsagar, G D’avino, X Blase, J Li, R Poloni
Journal of Chemical Theory and Computation 16 (4), 2021-2027, 2020
15 2020 Bethe–Salpeter Study of the Optical Absorption of trans and cis Azobenzene-Functionalized Metal–Organic Frameworks Using Molecular and Periodic Models AR Kshirsagar, C Attaccalite, X Blase, J Li, R Poloni
The Journal of Physical Chemistry C 125 (13), 7401-7412, 2021
13 2021 Assessing the Role of the Kohn–Sham Density in the Calculation of the Low-Lying Bethe–Salpeter Excitation Energies AR Kshirsagar, R Poloni
The Journal of Physical Chemistry A 127 (11), 2618-2627, 2023
5 2023 A Combined Theoretical and Experimental Raman Scattering Study of BaZrS3 −BaHfS3 Solid Solutions HA Yetkin, PJ Dale, AR Kshirsagar, S Reichardt, A Redinger, A Latini, ...
ChemPhysChem 25 (23), e202400340, 2024
1 2024 Understanding electronic excited states in ab initio calculations and symmetry analysis AR Kshirsagar, S Reichardt
Physical Review B 110 (15), 155131, 2024
1 2024 Modulation of magnetization in BiFeO AR Kshirsagar, S Reichardt
arXiv preprint arXiv:2402.05430, 2024
1 2024 Optical properties of molecular photoswitches and metal-organic frameworks: a GW/BSE perspective R Poloni, AR Kshirsagar
ETSF webinar, 2023
2023 Photoswitching metal-organic frameworks for efficient gas capture-and-release applications R Poloni, AR Kshirsagar, X Blase, C Attaccalite
Computing Pi-Conjugated Compounds, 2022
2022 Ab initio study of the excited state properties of azobenzene-functionalized photoresponsive MOFs AR Kshirsagar
Université Grenoble Alpes [2020], 2021
2021 Étude ab initio des propriétés de l'état excité des MOF photosensibles fonctionnalisées à l'azobenzène AR Kshirsagar
Université Grenoble Alpes, 2021
2021 Photoactive metal-organic frameworks for gas separation R Poloni, C Attaccalite, J Li, AR Kshirsagar
APS Meeting Abstracts, 2019
2019 First-Principles Investigation of MoS2-MXene Heterostructures as Cathodes in Magnesium Ion Batteries AR Kshirsagar
Indian Institute of Science Education and Research, Pune, 2017
2017 
Roberta PoloniCNRS GrenobleCorreu electrònic verificat a grenoble-inp.fr
