Mehrad Ansari

3PUBLICATIONS
41CO-AUTHORS
Modelling and simulationDeep learningComputational chemistry
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Publications (3)

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|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

|May 17, 2024
Learning peptide properties with positive examples only.

Mehrad Ansari, Andrew D White

|Apr 17, 2023
Assessment of chemistry knowledge in large language models that generate code.

Andrew D White, Glen M Hocky, Heta A Gandhi

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Frequent Collaborators

2 joint publications

Andrew D White

1 joint publications

Glen M Hocky

1 joint publications

Heta A Gandhi

1 joint publications

Sam Cox

1 joint publications

Geemi P Wellawatte

1 joint publications

Subarna Sasmal

1 joint publications

Ziyue Yang

1 joint publications

Kangxin Liu

1 joint publications

Yuvraj Singh

1 joint publications

Willmor J Peña Ccoa

Frequent Collaborators

2 joint publications

Andrew D White

1 joint publications

Glen M Hocky

1 joint publications

Heta A Gandhi

1 joint publications

Sam Cox

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