activity
20142022
most citedNWChem: Past, Present, and Future

699 citations · 1.2k across the 18 of their papers we have counts for

collaborators

20 papers

physics.flu-dyn2022★ 6 cited

NUNet: Deep Learning for Non-Uniform Super-Resolution of Turbulent Flows

Octavi Obiols-Sales, Abhinav Vishnu, Nicholas Malaya +1

Deep Learning (DL) algorithms are becoming increasingly popular for the reconstruction of high-resolution turbulent flows (aka super-resolution). However, current DL approaches per…

physics.flu-dyn2021

SURFNet: Super-resolution of Turbulent Flows with Transfer Learning using Small Datasets

Octavi Obiols-Sales, Abhinav Vishnu, Nicholas Malaya +1

Deep Learning (DL) algorithms are emerging as a key alternative to computationally expensive CFD simulations. However, state-of-the-art DL approaches require large and high-resolut…

physics.chem-ph2020★ 699 cited

NWChem: Past, Present, and Future

E. Aprà, E. J. Bylaska, W. A. de Jong +111

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…

physics.flu-dyn2020★ 121 cited

CFDNet: a deep learning-based accelerator for fluid simulations

Octavi Obiols-Sales, Abhinav Vishnu, Nicholas Malaya +1

CFD is widely used in physical system design and optimization, where it is used to predict engineering quantities of interest, such as the lift on a plane wing or the drag on a mot…

cs.LG2018★ 14 cited

Multimodal Deep Neural Networks using Both Engineered and Learned Representations for Biodegradability Prediction

Garrett B. Goh, Khushmeen Sakloth, Charles Siegel +2

Deep learning algorithms excel at extracting patterns from raw data, and with large datasets, they have been very successful in computer vision and natural language applications. H…

cs.AI2018★ 14 cited

ColdRoute: Effective Routing of Cold Questions in Stack Exchange Sites

Jiankai Sun, Abhinav Vishnu, Aniket Chakrabarti +2

Routing questions in Community Question Answer services (CQAs) such as Stack Exchange sites is a well-studied problem. Yet, cold-start -- a phenomena observed when a new question i…