23 citations · 26 across the 8 of their papers we have counts for
6 papers · 1 filter
Probing (sub)nanoscale ferrons in an electron microscope
Mahir Manna, Fei Yang, Shayantan Chaudhuri +13
Ferrons are collective excitations of polarization fluctuations that can enable terahertz communications and quantum transduction due to long propagation lengths. Although ferrons…
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…
Multiplet structure of chromium(III) dopants in wide band gap materials
Ilya Popov, Petros-Panagis Filippatos, Shayantan Chaudhuri +3
Transition metal doping is commonly used for altering the properties of solid-state materials to suit applications in science and technology. Partially filled -shells of transit…
Challenges in the Theory and Atomistic Simulation of Metal Electrodeposition
Shayantan Chaudhuri, Reinhard J. Maurer
Electrodeposition is a fundamental process in electrochemistry, and has applications in numerous industries, such as corrosion protection, decorative finishing, energy storage, cat…
Stability of Single Metal Atoms on Defective and Doped Diamond Surfaces
Shayantan Chaudhuri, Andrew J. Logsdail, Reinhard J. Maurer
Polycrystalline boron-doped diamond (BDD) is widely used as a working electrode material in electrochemistry, and its properties, such as its stability, make it an appealing suppor…
Long-range dispersion-inclusive machine learning potentials for structure search and optimization of hybrid organic-inorganic interfaces
Julia Westermayr, Shayantan Chaudhuri, Andreas Jeindl +2
The computational prediction of the structure and stability of hybrid organic-inorganic interfaces provides important insights into the measurable properties of electronic thin fil…