A deep neural network model for packing density predictions and its application in the study of 1.5 million organic molecules-Reference-Cited by-同舟云学术

A deep neural network model for packing density predictions and its application in the study of 1.5 million organic molecules

Published:2019 Issue:36 Volume:10 Page:8374-8383
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Afzal Mohammad Atif Faiz¹²³⁴⁵,Sonpal Aditya¹²³⁴⁵,Haghighatlari Mojtaba¹²³⁴⁵,Schultz Andrew J.¹²³⁴⁵,Hachmann Johannes¹²³⁴⁵^ORCID

Affiliation:

1. Department of Chemical and Biological Engineering

2. University at Buffalo

3. The State University of New York

4. Buffalo

5. USA

Abstract

Computational pipeline for the accelerated discovery of organic materials with high refractive index via high-throughput screening and machine learning.

Funder

National Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/SC/C9SC02677K

Reference56 articles.

1. Packing density measurement and modelling of fine aggregate and mortar

2. Correlation between Free Volume and Ionic Conductivity in Fast Ion Conducting Glasses

3. Structural and Dynamical Properties of a Deep Eutectic Solvent Confined Inside a Slit Pore

4. Mechanical performance of polymer systems: The relation between structure and properties

5. DFT Calculations on Refractive Index Dispersion of Fluoro-compounds in the DUV-UV-Visible Region

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