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Filtering by: Type Work Keyword Density functional theory Subject Materials Science and Engineering

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Materials Discovery for Water Splitting Applications Using First-Principles Calculations and Machine Learning

Description:

Moving away from fossil fuels requires environmentally friendly and economically viable alternative energy sources. A wide adoption of new technologies for energy production and storage depends on better performing materials. Computational methods, such as electronic structure calculations and machine learning, hold the promise to work in conjunction with traditional experimentation...

Keyword:

Perovskites, Hydrogen production, Water splitting, Density functional theory, Materials discovery, and Machine learning

Subject:

Materials Science and Engineering

Creator:

Antoine Alexandre Emery

Owner:

Scholarly Digital Publishing

Date Uploaded:

10/22/2018

Date Modified:

10/22/2018

Date Created:

2017-01-01

Resource Type:

Dissertation
Towards Understanding and Designing of Advanced Li-ion Batteries from First-principles

Description:

Lithium ion batteries (LIBs) have been the most prominent electrochemical energy storage technology over the past decades and enabled the wireless evolution of portable electronic devices. Yet the expanded use of renewable but intermittent energy sources coupled with increasing demand for electric transportation vehicles put forward requirements to electrochemical energy...

Keyword:

First-principles calculation, Lithium ion battery, and Density functional theory

Subject:

Materials Science and Engineering

Creator:

Zhengpeng Yao

Owner:

Scholarly Digital Publishing

Date Uploaded:

02/18/2019

Date Modified:

02/18/2019

Date Created:

2018-01-01

Resource Type:

Dissertation

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Materials Discovery for Water Splitting Applications Using First-Principles Calculations and Machine Learning

Towards Understanding and Designing of Advanced Li-ion Batteries from First-principles

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