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Title: Final Technical Report for Predictive Computing for Condensed Matter

Abstract

This grant supported research into the development of computational methods to predict the properties of materials to high precision. The overarching purpose of such tools is to aid materials discovery by computation, without the need for costly materials synthesis or experimental measurements. A wide variety of computational tools were developed during this grant. Using these tools, we demonstrated that we could achieve the stated goal of computational modeling with predictive accuracy in several prototypical materials: a molecular crystal of benzene, a solid composed entirely of hydrogen, and a model solid intended to mimic the high temperature superconductors.

Authors:
 [1];  [1]
  1. Princeton Univ., Princeton, NJ (United States)
Publication Date:
Research Org.:
Princeton Univ., NJ (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1432172
Report Number(s):
Final technical report
DOE Contract Number:  
SC0008624
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Car, Roberto, and Chan, Garnet. Final Technical Report for Predictive Computing for Condensed Matter. United States: N. p., 2018. Web. doi:10.2172/1432172.
Car, Roberto, & Chan, Garnet. Final Technical Report for Predictive Computing for Condensed Matter. United States. doi:10.2172/1432172.
Car, Roberto, and Chan, Garnet. Sat . "Final Technical Report for Predictive Computing for Condensed Matter". United States. doi:10.2172/1432172. https://www.osti.gov/servlets/purl/1432172.
@article{osti_1432172,
title = {Final Technical Report for Predictive Computing for Condensed Matter},
author = {Car, Roberto and Chan, Garnet},
abstractNote = {This grant supported research into the development of computational methods to predict the properties of materials to high precision. The overarching purpose of such tools is to aid materials discovery by computation, without the need for costly materials synthesis or experimental measurements. A wide variety of computational tools were developed during this grant. Using these tools, we demonstrated that we could achieve the stated goal of computational modeling with predictive accuracy in several prototypical materials: a molecular crystal of benzene, a solid composed entirely of hydrogen, and a model solid intended to mimic the high temperature superconductors.},
doi = {10.2172/1432172},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {4}
}