| What do we know about DNA mechanics so far? A Aggarwal, S Naskar, AK Sahoo, S Mogurampelly, A Garai, PK Maiti Current Opinion in Structural Biology Volume 64, October 2020, Pages 42-50 …, 2020 | 42 | 2020 |
| Quantum circuit rules for molecular electronic Systems: where are we headed based on the current understanding of quantum interference, thermoelectric, and molecular … A Aggarwal, V Kaliginedi, PK Maiti Nano Letters 21 (20), 8532-8544, 2021 | 23 | 2021 |
| Machine learning prediction of electronic coupling between the guanine bases of DNA S Bag, A Aggarwal, PK Maiti The Journal of Physical Chemistry A 124 (38), 7658-7664, 2020 | 21 | 2020 |
| Mechanistic insights into the effects of key mutations on SARS-CoV-2 RBD–ACE2 binding A Aggarwal, S Naskar, N Maroli, B Gorai, NM Dixit, PK Maiti Physical Chemistry Chemical Physics 23 (46), 26451-26458, 2021 | 19 | 2021 |
| Predicting the DNA Conductance using Deep Feed Forward Neural Network Model A Aggarwal, V Vinayak, S Bag, C Bhattacharyya, UV Waghmare, PK Maiti Journal of Chemical Information and Modeling 61 (1), 106–114, 2021 | 18 | 2021 |
| Remarkable similarity of force induced dsRNA conformational changes to stretched dsDNA and their detection using electrical measurements A Aggarwal, S Bag, PK Maiti Physical Chemistry Chemical Physics 20 (45), 28920-28928, 2018 | 17 | 2018 |
| CO2-to-methanol electroconversion on a molecular cobalt catalyst facilitated by acidic cations S Yu, H Yamauchi, S Wang, A Aggarwal, J Kim, K Gordiz, B Huang, H Xu, ... Nature Catalysis 7 (9), 1000-1009, 2024 | 15 | 2024 |
| Multiscale modelling reveals higher charge transport efficiencies of DNA relative to RNA independent of mechanism A Aggarwal, S Bag, R Venkatramani, M Jain, PK Maiti Nanoscale 12 (36), 18750-18760, 2020 | 10 | 2020 |
| Fine-tuning the DNA conductance by intercalation of drug molecules A Aggarwal, AK Sahoo, S Bag, V Kaliginedi, M Jain, PK Maiti Physical Review E 103 (3), 032411, 2021 | 8 | 2021 |
| Electrolyte Dependence of Li+ Transport Mechanisms in Small Molecule Solvents from Classical Molecular Dynamics E Crabb#, A Aggarwal#, R Stephens, Y Shao-Horn, G Leverick, ... The Journal of Physical Chemistry B 128 (14), 3427–3441, 2024 | 7 | 2024 |
| Efficient removal of uranyl ions using PAMAM dendrimer: simulation and experiment T Maity, A Aggarwal, S Dasgupta, V Velachi, AK Singha Deb, SM Ali, ... Langmuir 39 (19), 6794-6802, 2023 | 6 | 2023 |
| Computational Insights into Electrolyte-Dependent Li-Ion Charge-Transfer Kinetics at the LixCoO2 Interface J Halldin Stenlid, P Žguns, D Vivona, A Aggarwal, K Gordiz, Y Zhang, ... ACS Energy Letters 9 (7), 3608-3617, 2024 | 4 | 2024 |
| Revealing the Molecular Origin of Driving Forces and Thermodynamic Barriers for Li+ Ion Transport to Electrode–Electrolyte Interfaces A Aggarwal, K Gordiz, A Baskin, D Vivona, J Halldin Stenlid, JW Lawson, ... The Journal of Physical Chemistry C 128 (31), 12903-12915, 2024 | 2 | 2024 |
| Confined Water for Catalysis: Thermodynamic Properties and Reaction Kinetics T Wang, H Iriawan, J Peng, RR Rao, B Huang, D Zheng, D Menga, ... Chemical Reviews, 2025 | | 2025 |
| Multimodal Machine Learning for Materials Science: Discovery of Novel Li-Ion Solid Electrolytes S Wang, S Gong, T Böger, JA Newnham, D Vivona, M Sokseiha, ... Chemistry of Materials 36 (23), 11541-11550, 2024 | | 2024 |
| Tuning Hydrogen Evolution and Oxidation Electrocatalysis through Interfacial Hydrogen Bonds Y Zhang, B Huang, A Aggarwal, G Leverick, Y Shao-Horn Electrochemical Society Meeting Abstracts prime2024, 4108-4108, 2024 | | 2024 |
| Electrolyte Dependence of Li+ Transport Mechanisms in Small Molecule Solvents from Classical Molecular Dynamics A Aggarwal, E Crabb, Y Shao-Horn, G Leverick, J Grossman Electrochemical Society Meeting Abstracts prime2024, 307-307, 2024 | | 2024 |
| Understanding the Energetics of Ion Intercalation in Lithium-Ion Batteries A Aggarwal, K Gordiz, P Zguns, D Vivona, A Baskin, J Grossman, ... Electrochemical Society Meeting Abstracts 243, 692-692, 2023 | | 2023 |
| Understanding Nucleic Acid Charge Transport Properties using Multiscale Modelling Techniques A Aggarwal | | 2022 |
| Molecular rectifiers with very high rectification ratio enabled by oxidative damage in double-stranded DNA A Aggarwal, S Naskar, PK Maiti J. Phys. Chem. B 2022 126 (25), 4636–4646, 2022 | | 2022 |
Prabal K MaitiDepartment of Physics, Indian Institute of Science, Bangaloreبريد إلكتروني تم التحقق منه على iisc.ac.in
