Lagnajit Pattanaik

Citation name

Pattanaik, L.

Affiliation

Massachusetts Institute of Technology

State

MA

Country

USA

Authored

(509ct) An Automated Workflow to Rapidly and Accurately Generate Transition State Structures Using Machine Learning

Lagnajit Pattanaik

Kevin Spiekermann

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(364j) Generating 3D Conformer Ensembles of Molecular Graphs with End-to-End Differentiable Networks

Lagnajit Pattanaik

Regina Barzilay

Tommi S. Jaakkola

Klavs F. Jensen

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(731c) Towards Fully Automated Generation of Predictive Detailed Kinetic Models: 2,3-Dimethylbut-2-Ene Oxidation Modeling As an Example

Lagnajit Pattanaik

Kevin Spiekermann

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(621g) An End-to-End Workflow for Diverse Transition State Conformer Generation Using Machine Learning

Lagnajit Pattanaik

Kevin Spiekermann

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

Associated proceedings

2021 Annual Meeting

2022 Annual Meeting