Publications by authors named "Aakash Naik"

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A foundation model for atomistic materials chemistry.
Ilyes Batatia, Philipp Benner, Yuan Chiang, Alin M Elena, Dávid P Kovács, Aakash A Naik

J Chem Phys· November 2025

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Correction: Atomate2: modular workflows for materials science.
Alex M Ganose, Hrushikesh Sahasrabuddhe, Mark Asta, Kevin Beck, Tathagata Biswas, Aakash A Naik

Digit Discov· September 2025

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32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discovery.
Yoel Zimmermann, Adib Bazgir, Alexander Al-Feghali, Mehrad Ansari, Joshua Bocarsly, Aakash Naik

Mach Learn Sci Technol· September 2025

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An automated framework for exploring and learning potential-energy surfaces.
Yuanbin Liu, Joe D Morrow, Christina Ertural, Natascia L Fragapane, John L A Gardner, Aakash A Naik

Nat Commun· August 2025

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Atomate2: modular workflows for materials science.
Alex M Ganose, Hrushikesh Sahasrabuddhe, Mark Asta, Kevin Beck, Tathagata Biswas, Aakash N Naik

Digit Discov· July 2025

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A Quantum-Chemical Bonding Database for Solid-State Materials.
Aakash Ashok Naik, Christina Ertural, Nidal Dhamrait, Philipp Benner, Janine George

Sci Data· September 2023

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Automated Bonding Analysis with Crystal Orbital Hamilton Populations.
Janine George, Guido Petretto, Aakash Naik, Marco Esters, Adam J Jackson

Chempluschem· November 2022

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Automated Bonding Analysis with Crystal Orbital Hamilton Populations.
Janine George, Guido Petretto, Aakash Naik, Marco Esters, Adam J Jackson

Chempluschem· November 2022

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Photocatalytic Water Splitting Reaction Catalyzed by Ion-Exchanged Salts of Potassium Poly(heptazine imide) 2D Materials.
Sudhir K Sahoo, Ivo F Teixeira, Aakash Naik, Julian Heske, Daniel Cruz

J Phys Chem C Nanomater Interfaces· July 2021

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