Olexandr Isayev

Identifiers

• name variant Olexandr Isayev 0.60 · backfill

Papers (13)

1. CLORE: Content-Level Optimization for Reasoning Efficiency cs.AI · 2026 · author #7
2. Can Agents Price a Reaction? Evaluating LLMs on Chemical Cost Reasoning cs.AI · 2026 · author #11
3. Knowing when to trust machine-learned interatomic potentials cs.LG · 2026 · author #3
4. MolecularRNN: Generating realistic molecular graphs with optimized properties cs.LG · 2019 · author #4
5. Transferable Molecular Charge Assignment Using Deep Neural Networks physics.chem-ph · 2018 · author #6
6. Less is more: sampling chemical space with active learning physics.comp-ph · 2018 · author #4
7. The AFLOW Fleet for Materials Discovery cond-mat.mtrl-sci · 2017 · author #36
8. Deep Reinforcement Learning for De-Novo Drug Design cs.AI · 2017 · author #2
9. AFLOW-ML: A RESTful API for machine-learning predictions of materials properties cond-mat.mtrl-sci · 2017 · author #4
10. ANI-1: A data set of 20M off-equilibrium DFT calculations for organic molecules physics.chem-ph · 2017 · author #2
11. ANI-1: An extensible neural network potential with DFT accuracy at force field computational cost physics.chem-ph · 2016 · author #2
12. Universal Fragment Descriptors for Predicting Electronic Properties of Inorganic Crystals cond-mat.mtrl-sci · 2016 · author #1
13. Materials Cartography: Representing and Mining Material Space Using Structural and Electronic Fingerprints cond-mat.mtrl-sci · 2014 · author #1

Mentions

• 2605.22211 #7 · arxiv_oai · confidence 0.70 Olexandr Isayev

Frequent Coauthors

• Alexander Tropsha 4 shared papers
• Corey Oses 4 shared papers
• Justin S. Smith 4 shared papers
• Stefano Curtarolo 4 shared papers
• Adrian E. Roitberg 3 shared papers
• Cormac Toher 3 shared papers
• Eric Gossett 3 shared papers
• Ben Nebgen 2 shared papers
• Eva Zurek 2 shared papers
• Fleur Legrain 2 shared papers
• Frisco Rose 2 shared papers
• Jes\'us Carrete 2 shared papers
• Kevin Rasch 2 shared papers
• Mariya Popova 2 shared papers
• Natalio Mingo 2 shared papers
• Qiyao Xue 2 shared papers
• Weichen Liu 2 shared papers
• Yuyang Wu 2 shared papers
• Adrian Roitberg 1 shared papers
• Aleksey N. Kolmogorov 1 shared papers