‪Vaishali Thakkur‬ - ‪Google Scholar‬

Get my own profile

Cited by

	All	Since 2019
Citations	19	19
h-index	2	2
i10-index	1	1

0

8

4

20212022202320242 5 8 4

Public access

2 articles

1 article

available

not available

Based on funding mandates

Co-authors

Nisanth N. NairIndian Institute of Technology KanpurVerified email at iitk.ac.in
Sagarmoy MandalPurdue UniversityVerified email at purdue.edu

Vaishali Thakkur

Vaishali Thakkur

Research Scholar, Indian Institute of Technology Kanpur

Verified email at iitk.ac.in


Title Sort by citations Sort by year Sort by title	Cited by Cited by	Year
Achieving an Order of Magnitude Speedup in Hybrid-Functional- and Plane-Wave-Based Ab Initio Molecular Dynamics: Applications to Proton-Transfer Reactions … S Mandal, V Thakkur, NN Nair Journal of Chemical Theory and Computation 17 (4), 2244-2255, 2021	14	2021
Inhibition mechanism of class D β-lactamases by avibactam V Thakkur, CK Das, NN Nair ACS Catalysis 12 (16), 10338-10352, 2022	5	2022
Methyl substituted β–lactam framework based antibiotics and β-lactamase inhibitors: Proof of concept by computations V Thakkur, CK Das, S Verma, S Saha, NN Nair bioRxiv, 2024		2024
Speeding-up Hybrid Functional-Based Ab Initio Molecular Dynamics Using Multiple Time-stepping and Resonance-Free Thermostat R Kar, S Mandal, V Thakkur, B Meyer, NN Nair Journal of Chemical Theory and Computation 19 (22), 8351-8364, 2023		2023

The system can't perform the operation now. Try again later.

Articles 1–4