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Theoretical and Computational Chemistry

Working Paper

Convolutional Neural Network of Atomic Surface Structures to Predict Binding Energies for High-Throughput Screening of Catalysts

Seoin Back, Junwoong Yoon, Nianhan Tian, Wen Zhong, Kevin Tran, Zachary Ulissi

Version 1 posted 21 May 2019

1,022

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Materials Science

Working Paper

Convolutional Network Analysis of Optical Micrographs

Alexander Smith, Nicholas L. Abbott, Victor M. Zavala

Version 2 posted 03 March 2020

763

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Catalysis

Working Paper

Fast Predictions of Liquid-Phase Acid-Catalyzed Reaction Rates Using Molecular Dynamics Simulations and Convolutional Neural Networks

Alex Chew, Shengli Jiang, Weiqi Zhang, Victor Zavala, Reid Van Lehn

Version 2 posted 04 May 2020

757

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Physical Chemistry

Working Paper

Microfluidic Droplet Detection via Region-Based and Single-Pass Convolutional Neural Networks with Comparison to Conventional Image Analysis Methodologies

Gregory Rutkowski, Ilgar Azizov, Evan Unmann, Marcin Dudek, Brian Arthur Grimes

Version 1 posted 02 June 2021

457

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Materials Chemistry

Working Paper

Chemically Inspired Convolutional Neural Network using Electronic Structure Representation

Dong Hyeon Mok, Daeun Shin, Jonggeol Na, Seoin Back

Version 1 posted 30 January 2023

359

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Chemical Engineering and Industrial Chemistry

Working Paper

Simultaneous Extraction of Intra- and Inter-Cycle Features for Predicting Lithium-Ion Battery's Knees Using Convolutional and Recurrent Neural Networks

Jaewook Lee, Jay H. Lee

Version 1 posted 25 October 2023

114

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Chemical Engineering and Industrial Chemistry

Working Paper

FLUID-GPT (Fast Learning to Understand and Investigate Dynamics with a Generative Pre-Trained Transformer): Efficient Predictions of Particle Trajectories and Erosion

Steve Yang, Zulfikhar Ali, Bryan Wong

Version 1 posted 23 August 2023

114

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Analytical Chemistry

Working Paper

Self-supervised Clustering of Mass Spectrometry Imaging Data Using Contrastive Learning

Hang Hu, Jyothsna Padmakumar Bindu, Julia Laskin

Version 1 posted 09 August 2021

391

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Theoretical and Computational Chemistry

Working Paper

DeepPocket: Ligand Binding Site Detection and Segmentation using 3D Convolutional Neural Networks

Rishal Aggarwal, Akash Gupta, Vineeth Chelur, C. V. Jawahar, U. Deva Priyakumar

Version 2 posted 15 July 2021

2,017

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Materials Science

Working Paper

Deep Convolutional Neural Network Algorithm for Prediction of the Mechanical Properties of Friction Stir Welded Copper Joints from its Microstructures

Akshansh Mishra, Asmita Suman

Version 1 posted 13 July 2021

249

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11 results in Convolutional Neural Network in Keywords: Convolutional Neural Network

Convolutional Neural Network of Atomic Surface Structures to Predict Binding Energies for High-Throughput Screening of Catalysts

Convolutional Network Analysis of Optical Micrographs

Fast Predictions of Liquid-Phase Acid-Catalyzed Reaction Rates Using Molecular Dynamics Simulations and Convolutional Neural Networks

Microfluidic Droplet Detection via Region-Based and Single-Pass Convolutional Neural Networks with Comparison to Conventional Image Analysis Methodologies

Chemically Inspired Convolutional Neural Network using Electronic Structure Representation

Simultaneous Extraction of Intra- and Inter-Cycle Features for Predicting Lithium-Ion Battery's Knees Using Convolutional and Recurrent Neural Networks

FLUID-GPT (Fast Learning to Understand and Investigate Dynamics with a Generative Pre-Trained Transformer): Efficient Predictions of Particle Trajectories and Erosion

Self-supervised Clustering of Mass Spectrometry Imaging Data Using Contrastive Learning

DeepPocket: Ligand Binding Site Detection and Segmentation using 3D Convolutional Neural Networks

Deep Convolutional Neural Network Algorithm for Prediction of the Mechanical Properties of Friction Stir Welded Copper Joints from its Microstructures

11 results in Keywords: Convolutional Neural Network