275 citations · 378 across the 8 of their papers we have counts for
8 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…
GEARS H: Accurate machine-learned Hamiltonians for next-generation device-scale modeling
Anubhab Haldar, Ali K. Hamze, Nikhil Sivadas +1
We introduce GEARS H, a state-of-the-art machine-learning Hamiltonian framework for large-scale electronic structure simulations. Using GEARS H, we present a statistical analysis o…
GPAW: An open Python package for electronic-structure calculations
Jens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma +44
We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density…
Excitation protocols for non-linear phononics in bismuth and antimony
Anubhab Haldar, Zhengjie Huang, Xuedan Ma +2
We study the optical generation and control of coherent phonons in elemental bismuth (Bi) and antimony (Sb) using a classical equation of motion informed by first-principles calcul…
Interplay of broken symmetry and delocalized excitations in the insulating state of 1-TaS
Xun Jia, Anubhab Haldar, Jungho Kim +13
Coexistence of localized and extended excitations is central to the macroscopic properties of correlated materials. For 5d transition metal compounds, electron correlations alone g…
Giant Optomechanical Coupling in the Charge Density Wave State of Tantalum Disulfide
Anubhab Haldar, Cristian L. Cortes, Stephen K. Gray +2
We study the coupling of light and the structural order parameter in the charge density wave (CDW) state of the layered transition-metal dichalcogenide, Tantalum Disulfide ($1T-\ma…
Compact Broadband Low-Loss Taper for Coupling to a Silicon Nitride Photonic Wire
Purnima Sethi, Rakshitha Kallege, Anubhab Haldar +1
We demonstrate an ultra-compact waveguide taper in Silicon Nitride platform. The proposed taper provides a coupling-efficiency of 95% at a length of 19.5 um in comparison to the st…
Ultra-compact low-loss broadband waveguide taper in silicon-on-insulator
Purnima Sethi, Anubhab Haldar, Shankar Selvaraja
A novel design of large bandwidth, fabrication tolerant, CMOS-compatible compact tapers (15 um) have been proposed and experimentally demonstrated in silicon-on-insulator. The prop…