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Aakash Naik

7PUBLICATIONS

134CO-AUTHORS

Computational chemistryModelling and simulationFormal methods for softwareDental materials and equipmentChemical thermodynamics and energetics

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Publications (7)

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|Nov 13, 2025

A foundation model for atomistic materials chemistry.

Ilyes Batatia, Philipp Benner, Yuan Chiang

|Oct 06, 2025

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

|Aug 18, 2025

An automated framework for exploring and learning potential-energy surfaces.

Yuanbin Liu, Joe D Morrow, Christina Ertural

|Jul 04, 2025

Atomate2: modular workflows for materials science.

Alex M Ganose, Hrushikesh Sahasrabuddhe, Mark Asta

|Sep 11, 2023

A Quantum-Chemical Bonding Database for Solid-State Materials.

Aakash Ashok Naik, Christina Ertural, Nidal Dhamrait

|Aug 10, 2022

Automated Bonding Analysis with Crystal Orbital Hamilton Populations.

Janine George, Guido Petretto, Aakash Naik

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Frequent Collaborators

7 joint publications

Janine George

2 joint publications

Christina Ertural

2 joint publications

Kristin A Persson

2 joint publications

Volker L Deringer

2 joint publications

Andrew S Rosen

2 joint publications

Yuan Chiang

2 joint publications

Aaron D Kaplan

2 joint publications

Janosh Riebesell

1 joint publications

Yuanbin Liu

1 joint publications

Yuxing Zhou

Frequent Collaborators

7 joint publications

Janine George

2 joint publications

Christina Ertural

2 joint publications

Kristin A Persson

2 joint publications

Volker L Deringer

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