Arghya Bhowmik

According to our database, Arghya Bhowmik authored at least 7 papers between 2020 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

Equivariant Graph-Representation-Based Actor-Critic Reinforcement Learning for Nanoparticle Design.

Jonas Elsborg, Arghya Bhowmik

J. Chem. Inf. Model., June, 2023

2022

NeuralNEB - neural networks can find reaction paths fast.

Mathias Schreiner, Arghya Bhowmik, Tejs Vegge, Peter Bjørn Jørgensen, Ole Winther

Mach. Learn. Sci. Technol., December, 2022

Calibrated uncertainty for molecular property prediction using ensembles of message passing neural networks.

Jonas Busk, Peter Bjørn Jørgensen, Arghya Bhowmik, Mikkel N. Schmidt, Ole Winther, Tejs Vegge

Mach. Learn. Sci. Technol., 2022

Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT.

Surajit Nandi, Jonas Busk, Peter Bjørn Jørgensen, Tejs Vegge, Arghya Bhowmik

J. Chem. Inf. Model., 2022

Transition1x - a Dataset for Building Generalizable Reactive Machine Learning Potentials.

Mathias Schreiner, Arghya Bhowmik, Tejs Vegge, Jonas Busk, Ole Winther

CoRR, 2022

NeuralNEB - Neural Networks can find Reaction Paths Fast.

Mathias Schreiner, Arghya Bhowmik, Tejs Vegge, Ole Winther

CoRR, 2022

2020

DeepDFT: Neural Message Passing Network for Accurate Charge Density Prediction.

Peter Bjørn Jørgensen, Arghya Bhowmik

CoRR, 2020