| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 642 | 2021 |
| pentahexoctite: A new two-dimensional allotrope of carbon BR Sharma, A Manjanath, AK Singh Scientific reports 4 (1), 7164, 2014 | 101 | 2014 |
| Semiconductor to metal transition in bilayer phosphorene under normal compressive strain A Manjanath, A Samanta, T Pandey, AK Singh Nanotechnology 26 (7), 075701, 2015 | 92 | 2015 |
| Mechanical and electronic properties of pristine and Ni-doped Si, Ge, and Sn sheets A Manjanath, V Kumar, AK Singh Physical Chemistry Chemical Physics 16 (4), 1667-1671, 2014 | 55 | 2014 |
| Diffusive nature of thermal transport in stanene AS Nissimagoudar, A Manjanath, AK Singh Physical Chemistry Chemical Physics 18 (21), 14257-14263, 2016 | 43 | 2016 |
| Diffusive nature of thermal transport in stanene AS Nissimagoudar, A Manjanath, AK Singh Physical Chemistry Chemical Physics 18 (21), 14257-14263, 2016 | 43 | 2016 |
| Engineering Defect Transition-Levels through the van der Waals Heterostructure A Singh, A Manjanath, AK Singh The Journal of Physical Chemistry C 122 (42), 24475-24480, 2018 | 27 | 2018 |
| Engineering Defect Transition-Levels through the van der Waals Heterostructure A Singh, A Manjanath, AK Singh The Journal of Physical Chemistry C 122 (42), 24475-24480, 2018 | 27 | 2018 |
| Low formation energy and kinetic barrier of Stone–Wales defect in infinite and finite silicene A Manjanath, AK Singh Chemical Physics Letters 592, 52-55, 2014 | 27 | 2014 |
| Simultaneous tunability of the electronic and phononic gaps in SnS2 under normal compressive strain B Ram, A Manjanath, AK Singh 2D Materials 3 (1), 015009, 2016 | 20 | 2016 |
| Simultaneous tunability of the electronic and phononic gaps in SnS2 under normal compressive strain B Ram, A Manjanath, AK Singh 2D Materials 3 (1), 015009, 2016 | 20 | 2016 |
| Excitation energies from thermally assisted-occupation density functional theory: Theory and computational implementation SH Yeh, A Manjanath, YC Cheng, JD Chai, CP Hsu The Journal of Chemical Physics 153 (8), 084120, 2020 | 10 | 2020 |
| Tuning the electronic and magnetic properties of pentagraphene through the C1 vacancy A Manjanath, CP Hsu, Y Kawazoe 2D Materials 7 (4), 045024, 2020 | 7 | 2020 |
| Negative differential resistance in armchair silicene nanoribbons A Manjanath, A Roy, A Samanta, AK Singh Nanotechnology 28 (27), 275402, 2017 | 7 | 2017 |
| Vacancy mediated clipping of multi-layered graphene: A precursor for 1, 2 and 3D carbon structures RP Hardikar, A Samanta, A Manjanath, AK Singh Carbon 94, 67-72, 2015 | 5 | 2015 |
| Creation of Mo/Tc@ C 60 and Au@ C 60 and molecular-dynamics simulations T Ohtsuki, A Manjanath, K Ohno, M Inagaki, S Sekimoto, Y Kawazoe RSC Advances 11 (32), 19666-19672, 2021 | 3 | 2021 |
| Extensive first-principles molecular dynamics study on Li encapsulation into C 60 and its experimental confirmation K Ohno, A Manjanath, Y Kawazoe, R Hatakeyama, F Misaizu, E Kwon, ... Nanoscale 10 (4), 1825-1836, 2018 | 3 | 2018 |
| Enhancing Singlet Fission Coupling with Nonbonding Orbitals A Manjanath, CH Yang, K Kue, CI Wang, GC Claudio, CP Hsu Journal of Chemical Theory and Computation 18 (2), 1017-1029, 2022 | 2 | 2022 |
| Time-dependent GW molecular dynamics for an accurate mechanistic description of the dynamics of chemical reactions A Manjanath, R Sahara, K Ohno, Y Kawazoe Bulletin of the American Physical Society, 2024 | | 2024 |
| Memory-efficient incremental kernel ridge regression with a smart chunking strategy A Manjanath, E Fajiculay, R Sahara, CP Hsu Bulletin of the American Physical Society, 2024 | | 2024 |
Abhishek SinghProfessor of Materials Research Centre, IISc BangaloreVerified email at iisc.ac.in
