An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library JJ Plata, P Nath, D Usanmaz, J Carrete, C Toher, M de Jong, M Asta, ... npj Computational Materials 3 (1), 45, 2017 | 81 | 2017 |

High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation P Nath, JJ Plata, D Usanmaz, RAR Al Orabi, M Fornari, MB Nardelli, ... Computational Materials Science 125, 82-91, 2016 | 64 | 2016 |

Vanadium‐Catalyzed Selective Oxidation of Alcohols to Aldehydes and Ketones with tert‐Butyl Hydroperoxide L Rout, P Nath, T Punniyamurthy Advanced Synthesis & Catalysis 349 (6), 846-848, 2007 | 50 | 2007 |

High throughput combinatorial method for fast and robust prediction of lattice thermal conductivity P Nath, JJ Plata, D Usanmaz, C Toher, M Fornari, MB Nardelli, ... Scripta Materialia 129, 88-93, 2017 | 48 | 2017 |

The AFLOW fleet for materials discovery C Toher, C Oses, D Hicks, E Gossett, F Rose, P Nath, D Usanmaz, ... Handbook of Materials Modeling: Methods: Theory and Modeling, 1785-1812, 2020 | 35 | 2020 |

AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids P Nath, D Usanmaz, D Hicks, C Oses, M Fornari, M Buongiorno Nardelli, ... Physical Review Materials 3 (7), 073801, 2019 | 20 | 2019 |

First principles thermodynamical modeling of the binodal and spinodal curves in lead chalcogenides D Usanmaz, P Nath, JJ Plata, GLW Hart, I Takeuchi, MB Nardelli, ... Physical Chemistry Chemical Physics 18 (6), 5005-5011, 2016 | 20 | 2016 |

Spinodal superlattices of topological insulators D Usanmaz, P Nath, C Toher, JJ Plata, R Friedrich, M Fornari, ... Chemistry of Materials 30 (7), 2331-2340, 2018 | 15 | 2018 |

Kinetic Monte Carlo simulations of heteroepitaxial growth with an atomistic model of elasticity P Nath, M Ranganathan Surface science 606 (17-18), 1450-1457, 2012 | 12 | 2012 |

High-throughput screening of the thermoelastic properties of ultrahigh-temperature ceramics P Nath, JJ Plata, J Santana-Andreo, EJ Blancas, AM Márquez, ... ACS Applied Materials & Interfaces 13 (25), 29843-29857, 2021 | 10 | 2021 |

In Handbook of Materials Modeling: Methods: Theory and Modeling; Andreoni, W., Yip, S., Eds C Toher, C Oses, D Hicks, E Gossett, F Rose, P Nath, D Usanmaz, ... Springer International Publishing: Cham, 2018 | 7 | 2018 |

Study of Stranski–Krastanov growth using kinetic Monte Carlo simulations with an atomistic model of elasticity P Nath, M Ranganathan Surface science 628, 8-16, 2014 | 7 | 2014 |

Predicting the lattice thermal conductivity of solids by solving the Boltzmann transport equation: AFLOW-AAPL an automated, accurate and effcient framework JJ Plata, D Usanmaz, P Nath, C Toher, J Carrete, M Asta, M de Jong, ... arXiv preprint arXiv:1611.05481, 2016 | 5 | 2016 |

High-Throughput Prediction of the Thermal and Electronic Transport Properties of Large Physical and Chemical Spaces Accelerated by Machine Learning: Charting the ZT of Binary … J Santana-Andreo, AM Márquez, JJ Plata, EJ Blancas, ... ACS Applied Materials & Interfaces 16 (4), 4606-4617, 2024 | 4 | 2024 |

Application of carbon-based smart nanocomposites for hydrogen production: current progress, challenges, and prospects KS Maan, A Sharma, P Nath, DVN Vo, HT Ha, TD Minh New Dimensions in Production and Utilization of Hydrogen, 321-336, 2020 | 3 | 2020 |

Understanding the early stages of growth of Ge on Si (001) from lattice based simulations P Ghosh, P Nath, M Ranganathan Surface Science 639, 96-101, 2015 | 3 | 2015 |

Design Principles Guided by DFT Calculations and High-Throughput Frameworks for the Discovery of New Diamond-like Chalcogenide Thermoelectric Materials AE Rosado-Miranda, V Posligua, JF Sanz, AM Márquez, P Nath, JJ Plata ACS Applied Materials & Interfaces, 2024 | 1 | 2024 |

Thermodynamics of Solids Including Anharmonicity Through Quasiparticle Theory E Blancas, Á Lobato, FI Ruiz, AM Márquez, JM Recio, P Nath, JJ Plata, ... | 1 | 2024 |

In silico modeling of inorganic thermoelectric materials JJ Plata, P Nath, JF Sanz, A Marquez Elsevier, 2023 | | 2023 |

A Short Review on Ab-Initio Quasi-Harmonic and Accelerated Quasi-Harmonic Methodologies To Compute Finite-Temperature Mechanical and Thermodynamic Properties For Solid Materials VS Sekhon, AK Sharma, P Nath Think India Journal 22 (16), 3774-3779, 2019 | | 2019 |