Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Kun Yao

3PUBLICATIONS

130CO-AUTHORS

Theoretical quantum chemistryElectrochemical energy storage and conversionCatalysis and mechanisms of reactions

Featured researcher

Get your video featured.

Publish with JoVE

Featured researcher

Get your video featured.

Publish with JoVE

Publications (3)

Sort by Publication Date:

|Sep 02, 2021

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.

Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng

|Sep 01, 2019

Compressing physics with an autoencoder: Creating an atomic species representation to improve machine learning models in the chemical sciences.

John E Herr, Kevin Koh, Kun Yao

|Jul 02, 2018

Metadynamics for training neural network model chemistries: A competitive assessment.

John E Herr, Kun Yao, Ryker McIntyre

Pageof 1

Frequent Collaborators

3 joint publications

John Parkhill

2 joint publications

John E Herr

2 joint publications

Kevin Koh

1 joint publications

Ryker McIntyre

1 joint publications

David W Toth

1 joint publications

Xintian Feng

1 joint publications

Yuezhi Mao

1 joint publications

Alec F White

1 joint publications

Marc P Coons

1 joint publications

Adrian L Dempwolff

Frequent Collaborators

3 joint publications

John Parkhill

2 joint publications

John E Herr

2 joint publications

Kevin Koh

1 joint publications

Ryker McIntyre

Top Related Videos

New Features in Visual Dynamics 3.0

New Features in Visual Dynamics 3.0

Published on : Aug 09, 2024

Machine Learning Algorithms for Early Detection of Bone Metastases in an Experimental Rat Model

Machine Learning Algorithms for Early Detection of Bone Metastases in an Experimental Rat Model

Published on : Aug 16, 2020

Deep Neural Networks for Image-Based Dietary Assessment

Deep Neural Networks for Image-Based Dietary Assessment

Published on : Mar 13, 2021

See more related videos

Top Related Videos

New Features in Visual Dynamics 3.0

New Features in Visual Dynamics 3.0

Published on : Aug 09, 2024

Machine Learning Algorithms for Early Detection of Bone Metastases in an Experimental Rat Model

Machine Learning Algorithms for Early Detection of Bone Metastases in an Experimental Rat Model

Published on : Aug 16, 2020

Deep Neural Networks for Image-Based Dietary Assessment

Deep Neural Networks for Image-Based Dietary Assessment

Published on : Mar 13, 2021

See more related videos