Estimation of electron-phonon coupling via moving least squares averaging: a method for fast-screening potential thermoelectric materials

Bang, S.; Kim, J.; Wee, D.; Samsonidze, G.; Kozinsky, B.

doi:10.1016/j.mtphys.2018.07.001

Title: Estimation of electron-phonon coupling via moving least squares averaging: a method for fast-screening potential thermoelectric materials

Full Record
Other Related Research

Authors:

Bang, S.; Kim, J.;

; Samsonidze, G.; Kozinsky, B.

Publication Date:: Wed Aug 01 00:00:00 EDT 2018

Sponsoring Org.:: USDOE

OSTI Identifier:: 1495511

Grant/Contract Number:: EE0004840

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Materials Today Physics

Additional Journal Information:: Journal Name: Materials Today Physics Journal Volume: 6 Journal Issue: C; Journal ID: ISSN 2542-5293

Publisher:: Elsevier

Country of Publication:: Netherlands

Language:: English

Citation Formats


                    Bang, S., Kim, J., Wee, D., Samsonidze, G., and Kozinsky, B. Estimation of electron-phonon coupling via moving least squares averaging: a method for fast-screening potential thermoelectric materials.  Netherlands: N. p., 2018. 
Web.  doi:10.1016/j.mtphys.2018.07.001.

Copy to clipboard


                    Bang, S., Kim, J., Wee, D., Samsonidze, G., & Kozinsky, B. Estimation of electron-phonon coupling via moving least squares averaging: a method for fast-screening potential thermoelectric materials.  Netherlands.  https://doi.org/10.1016/j.mtphys.2018.07.001

Copy to clipboard


                    Bang, S., Kim, J., Wee, D., Samsonidze, G., and Kozinsky, B. Wed .  
"Estimation of electron-phonon coupling via moving least squares averaging: a method for fast-screening potential thermoelectric materials".  Netherlands.  https://doi.org/10.1016/j.mtphys.2018.07.001.

Copy to clipboard


                    
@article{osti_1495511,

  title        = {Estimation of electron-phonon coupling via moving least squares averaging: a method for fast-screening potential thermoelectric materials},

  author       = {Bang, S. and Kim, J. and Wee, D. and Samsonidze, G. and Kozinsky, B.},

  abstractNote = {},

  doi          = {10.1016/j.mtphys.2018.07.001},

  journal      = {Materials Today Physics},

  number       = C,

  volume       = 6,

  place        = {Netherlands},

  year         = {Wed Aug 01 00:00:00 EDT 2018},

  month        = {Wed Aug 01 00:00:00 EDT 2018}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
https://doi.org/10.1016/j.mtphys.2018.07.001

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 17 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Similar Records in DOE PAGES and OSTI.GOV collections:

Accelerated Screening of Thermoelectric Materials by First-Principles Computations of Electron-Phonon Scattering

Journal Article Samsonidze, Georgy ; Kozinsky, Boris - Advanced Energy Materials

Not provided.
https://doi.org/10.1002/aenm.201800246
Accelerated Screening of Thermoelectric Materials by First‐Principles Computations of Electron–Phonon Scattering

Journal Article Samsonidze, Georgy ; Kozinsky, Boris - Advanced Energy Materials

Abstract Recent discoveries of new materials for thermoelectric energy conversion are enabled by efficient prediction of the materials' performance from first‐principles, without empirically fitted parameters. The novel simplified approach for computing electronic transport properties is described, which achieves good accuracy and transferability while greatly reducing complexity and computation cost compared to the existing methods. The first‐principles calculations of the electron–phonon coupling demonstrate that the energy dependence of the electron relaxation time varies significantly with chemical composition and carrier concentration, suggesting that it is necessary to go beyond the commonly used approximations to screen and optimize materials' composition, carrier concentration, andmore »« less
Cited by 74
https://doi.org/10.1002/aenm.201800246
Interpolating moving least-squares methods for fitting potential energy surfaces : improving efficiency via local approximants.

Journal Article Guo, Y ; Tokmakov, I V ; Thompson, D L ; ... - J. Chem. Phys.

The local interpolating moving least-squares (IMLS) method for constructing potential energy surfaces is investigated. The method retains the advantageous features of the IMLS approach in that the ab initio derivatives are not required and high degree polynomials can be used to provide accurate fits, while at the same time it is much more efficient than the standard IMLS approach because the least-squares solutions need to be calculated only once at the data points. Issues related to the implementation of the local IMLS method are investigated and the accuracy is assessed using HOOH as a test case. It is shown thatmore »« less
https://doi.org/10.1063/1.2805084
Fast-moving average recursive least-mean-squares fit

Journal Article Ng, L C ; LaTourette, R A ; Siconolfi, A - Journal of the Acoustical Society of America; (USA)

A new approach is developed to reduce the computational complexity of a moving average least-mean-squares fit (LMSF) procedure. For a long data window, a traditional batch approach would result in an order {ital N} number of operations, where {ital N} is the window length. This study shows that the moving average batch LMSF procedure could be made equivalent to a recursive process with identical filter memory length, but at an order of reduction in computation load. The increase in speed due to reduce computation could make the moving average LMSF procedure competitive for many real-time processing applications.
https://doi.org/10.1121/1.398615
Fast moving average recursive Least Mean Square Fit

Conference Ng, L C ; LaTourette, R A

A new approach is developed to reduce the computational complexity of a moving average Least Mean Square Fit (LMSF) procedure. For a long data window, a traditional batch approach would result in a large number of multiplication and add operations (i.e., an order N, where N is the window length). This study shows that the moving average batch LMSF procedure could be made equivalent to a recursive process with identical filter memory length but at an order of reduction in computational load. The increase in speed due to reduced computation make the moving average LMSF procedure competitive for many realmore »« less

Similar Records