50 citations · 117 across the 8 of their papers we have counts for
9 papers
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Aritra Roy, Kevin Shen, Andrew MacBride +350
Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broa…
Atom-by-atom Imaging of Moiré Phasons using Electron Ptychography
Yichao Zhang, Ballal Ahammed, Sang Hyun Bae +7
Twisted 2D materials exhibit unique vibrational modes called moiré phonons, which arise from the moiré superlattice. Here, we demonstrate atom-by-atom imaging of phasons, an ultras…
Graphene-hBN interlayer interactions from quantum Monte Carlo
Kittithat Krongchon, Tawfiqur Rakib, Daniel Palmer +3
The interaction between graphene and hexagonal boron nitride (hBN) plays a pivotal role in determining the electronic and structural properties of graphene-based devices. In this w…
Registry-dependent potential energy and lattice corrugation of twisted bilayer graphene from quantum Monte Carlo
Kittithat Krongchon, Tawfiqur Rakib, Shivesh Pathak +3
An uncertainty in studying twisted bilayer graphene (TBG) is the minimum energy geometry, which strongly affects the electronic structure. The minimum energy geometry is determined…
An accurate tight binding model for twisted bilayer graphene describes topological flat bands without geometric relaxation
Shivesh Pathak, Tawfiqur Rakib, Run Hou +4
A major hurdle in understanding the phase diagram of twisted bilayer graphene (TBLG) are the roles of lattice relaxation and electronic structure on isolated band flattening near m…
Investigation on the Mechanical Properties of Functionally Graded Nickel and Aluminium Alloy by Molecular Dynamics Study
Shailee Mitra, Md. Habibur Rahman, Mohammad Motalab +2
Functionally graded materials (FGMs), have drawn considerable attention of the worldwide researchers and scientific community because of its unique mechanical, thermal and electric…
Atomistic study of hardening mechanism in Al-Cu nanostructure
Satyajit Mojumder, Tawfiqur Rakib, Mohammad Motalab +1
Nanostructures have the immense potential to supplant the traditional metallic structure as they show enhanced mechanical properties through strain hardening. In this paper, the ef…
Atomistic Representation of Anomalies in the Failure Behaviour of Nanocrystalline Silicene
Tawfiqur Rakib, Sourav Saha, Mohammad Motalab +2
Silicene, a 2D analogue of graphene, has spurred a tremendous research interest in the scientific community for its unique properties essential for next generation electronic devic…
Graphene and its elemental analogue: A molecular dynamics view of fracture phenomenon
Tawfiqur Rakib, Satyajit Mojumder, Sourav Das +2
Graphene and some graphene like two dimensional materials; hexagonal boron nitride (hBN) and silicene have unique mechanical properties which severely limit the suitability of conv…