Lagnajit Pattanaik

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 7

Top Topics

Convolutional Neural Network

High Resolution

Molecular Dynamics

Top Venues

Scientific data

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

The journal of physical chemistry. B

This page only lists publications with an associated author ORCID identifier.

Publications

Lagnajit Pattanaik, Angiras Menon, Volker Settels, Kevin A Spiekermann, Zipei Tan, Florence H Vermeire, Frederik Sandfort, Philipp Eiden, William H Green
ConfSolv: Prediction of Solute Conformer-Free Energies across a Range of Solvents. The journal of physical chemistry. B (2023)
Kevin A Spiekermann, Lagnajit Pattanaik, William H Green
High accuracy barrier heights, enthalpies, and rate coefficients for chemical reactions. Scientific data 9 (1) (2022)
Kevin A Spiekermann, Lagnajit Pattanaik, William H Green
Fast Predictions of Reaction Barrier Heights: Toward Coupled-Cluster Accuracy. The journal of physical chemistry. A 126 (25) (2022)
Lagnajit Pattanaik, John B Ingraham, Colin A Grambow, William H Green
Generating transition states of isomerization reactions with deep learning. Physical chemistry chemical physics : PCCP 22 (41) (2020)
Colin A Grambow, Lagnajit Pattanaik, William H Green
Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry. Scientific data 7 (1) (2020)
Yanfei Guan, Connor W Coley, Haoyang Wu, Duminda Ranasinghe, Esther Heid, Thomas J Struble, Lagnajit Pattanaik, William H Green, Klavs F Jensen
Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors. Chemical science 12 (6) (2020)
Colin A Grambow, Lagnajit Pattanaik, William H Green
Deep Learning of Activation Energies. The journal of physical chemistry letters 11 (8) (2020)