High-throughput design of Peierls and charge density wave phases in Q1D organometallic materials

Raghunathan Ramakrishnan , Prakriti Kayastha
Journal of Chemical Physics 154 ( 6) 061102

2021
Machine Learning Modeling of Materials with a Group-Subgroup Structure

Raghunathan Ramakrishnan , Prakriti Kayastha
Machine Learning: Science and Technology

2021
4
2019
The physical significance of imaginary phonon modes in crystals

Ioanna Pallikara , Prakriti Kayastha , Jonathan M Skelton , Lucy D Whalley
Electronic Structure 4 ( 3) 033002

6
2022
The resolution-vs.-accuracy dilemma in machine learning modeling of electronic excitation spectra

Prakriti Kayastha , Sabyasachi Chakraborty , Raghunathan Ramakrishnan
Digital Discovery 1 ( 5) 689 -702

1
2022
High‐Temperature Equilibrium of 3D and 2D Chalcogenide Perovskites

Prakriti Kayastha , Devendra Tiwari , Adam Holland , Oliver S Hutter
Solar RRL 7 ( 9) 2201078 -2201078

6
2023
A First-Principles Thermodynamic Model for the Ba–Zr–S System in Equilibrium with Sulfur Vapor

Prakriti Kayastha , Giulia Longo , Lucy D Whalley
ACS Applied Energy Materials

2024