| The physical significance of imaginary phonon modes in crystals I Pallikara, P Kayastha, JM Skelton, LD Whalley Electronic Structure 4 (3), 033002, 2022 | 68 | 2022 |
| The chemical space of B, N-substituted polycyclic aromatic hydrocarbons: Combinatorial enumeration and high-throughput first-principles modeling S Chakraborty, P Kayastha, R Ramakrishnan The Journal of chemical physics 150 (11), 2019 | 18 | 2019 |
| High‐Temperature Equilibrium of 3D and 2D Chalcogenide Perovskites P Kayastha, D Tiwari, A Holland, OS Hutter, K Durose, LD Whalley, ... Solar RRL 7 (9), 2201078, 2023 | 8 | 2023 |
| The resolution-vs.-accuracy dilemma in machine learning modeling of electronic excitation spectra P Kayastha, S Chakraborty, R Ramakrishnan Digital Discovery 1 (5), 689-702, 2022 | 8 | 2022 |
| High-throughput design of Peierls and charge density wave phases in Q1D organometallic materials P Kayastha, R Ramakrishnan The Journal of Chemical Physics 154 (6), 2021 | 7 | 2021 |
| Machine learning modeling of materials with a group-subgroup structure P Kayastha, R Ramakrishnan Machine Learning: Science and Technology 2 (3), 035035, 2021 | 3 | 2021 |
| A First-Principles Thermodynamic Model for the Ba–Zr–S System in Equilibrium with Sulfur Vapor P Kayastha, G Longo, LD Whalley ACS Applied Energy Materials, 2024 | 1 | 2024 |
Lucy WhalleyNorthumbria University確認したメール アドレス: northumbria.ac.uk
