Arghya Bhowmik

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 8

Top Topics

Message Passing

Approximate Inference

Competitive Learning

Top Venues

Mach. Learn. Sci. Technol.

J. Chem. Inf. Model.

Publications

Jonas Elsborg, Arghya Bhowmik
Equivariant Graph-Representation-Based Actor-Critic Reinforcement Learning for Nanoparticle Design. J. Chem. Inf. Model. 63 (12) (2023)
Mathias Schreiner, Arghya Bhowmik, Tejs Vegge, Jonas Busk, Ole Winther
Transition1x - a Dataset for Building Generalizable Reactive Machine Learning Potentials. CoRR (2022)
Jonas Busk, Peter Bjørn Jørgensen, Arghya Bhowmik, Mikkel N. Schmidt, Ole Winther, Tejs Vegge
Calibrated uncertainty for molecular property prediction using ensembles of message passing neural networks. Mach. Learn. Sci. Technol. 3 (1) (2022)
Mathias Schreiner, Arghya Bhowmik, Tejs Vegge, Peter Bjørn Jørgensen, Ole Winther
NeuralNEB - neural networks can find reaction paths fast. Mach. Learn. Sci. Technol. 3 (4) (2022)
Mathias Schreiner, Arghya Bhowmik, Tejs Vegge, Ole Winther
NeuralNEB - Neural Networks can find Reaction Paths Fast. CoRR (2022)
Surajit Nandi, Jonas Busk, Peter Bjørn Jørgensen, Tejs Vegge, Arghya Bhowmik
Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT. J. Chem. Inf. Model. 62 (19) (2022)
Jonas Busk, Peter Bjørn Jørgensen, Arghya Bhowmik, Mikkel N. Schmidt, Ole Winther, Tejs Vegge
Calibrated Uncertainty for Molecular Property Prediction using Ensembles of Message Passing Neural Networks. CoRR (2021)
Peter Bjørn Jørgensen, Arghya Bhowmik
DeepDFT: Neural Message Passing Network for Accurate Charge Density Prediction. CoRR (2020)