Tags: density functional theory

Wiki Pages (1-7 of 7)

  1. High-dimensional PES metamodel via DFT - Blog 10: Final Report - Constructing high-dimensional potential energy surface via metamodel

    CSE8803 / ME 8883 Materials Informatics Fall 2016 Georgia Tech Anh Tran and Zhiyu Wang High-dimensional PES metamodel via DFT - Blog 5: Battling against the curse of dimensionality using...

    https://matin.gatech.edu/groups/materials_informatics_course_fall_2016/wiki/HighdimensionalPESmetamodelviaDFTBlog10:Literaturereviewsonclusteringmethods

  2. High-dimensional PES metamodel via DFT - Front Page

    CSE8803 / ME 8883 Materials Informatics Fall 2016 Georgia Tech Anh Tran and Zhiyu Wang High-dimensional PES metamodel via DFT - Blog 5: Battling against the curse of dimensionality using...

    https://matin.gatech.edu/groups/materials_informatics_course_fall_2016/wiki/HighdimensionalPESmetamodelviaDFTFrontPage

  3. High-dimensional PES metamodel via DFT - Blog 1: Data acquisition (Group:WangTran) - Report 13Sep2016

    CSE8803 / ME 8883 Materials Informatics Fall 2016 Georgia Tech Anh Tran and Zhiyu Wang High-dimensional PES metamodel via DFT - Blog 6: Potential energy surface (PES) meta-modeling and the search...

    https://matin.gatech.edu/groups/materials_informatics_course_fall_2016/wiki/metamodelDataacquisitionReport13Sep2016

  4. High-dimensional PES metamodel via DFT - Blog 7: Simulating and searching for the MEP on PES (Group:WangTran)

    CSE8803 / ME 8883 Materials Informatics Fall 2016 Georgia Tech Anh Tran and Zhiyu Wang High-dimensional PES metamodel via DFT - Blog 6: Potential energy surface (PES) meta-modeling and the search...

    https://matin.gatech.edu/groups/materials_informatics_course_fall_2016/wiki/metamodelSimulatingandsearchingfortheMEPonPESGroup:WangTran

  5. High-dimensional PES metamodel via DFT - Blog 5: Battling against the curse of dimensionality using permutation in material science (Group:WangTran)

    CSE8803 / ME 8883 Materials Informatics Fall 2016 Georgia Tech Anh Tran and Zhiyu Wang High-dimensional PES metamodel via DFT - Blog 6: Potential energy surface (PES) meta-modeling and the search...

    https://matin.gatech.edu/groups/materials_informatics_course_fall_2016/wiki/metamodel:Battlingagainstthecurseofdimensionalityusingpermutationinmaterialscience

  6. High-dimensional PES metamodel via DFT - Blog 2: High-dimensional kriging with modifications (Group:WangTran) - Report 21Sep16

    CSE8803 / ME 8883 Materials Informatics Fall 2016 Georgia Tech Anh Tran and Zhiyu Wang High-dimensional PES metamodel via DFT - Blog 6: Potential energy surface (PES) meta-modeling and the search...

    https://matin.gatech.edu/groups/materials_informatics_course_fall_2016/wiki/metamodelHighdimensionalkrigingwithmodificationsReport21Sep16

  7. High-dimensional PES metamodel via DFT - Blog 6: Potential energy surface (PES) meta-modeling and the search for minimum energy path (MEP) (Group:WangTran)

    CSE8803 / ME 8883 Materials Informatics Fall 2016 Georgia Tech Anh Tran and Zhiyu Wang High-dimensional PES metamodel via DFT - Blog 3: Reduce the curse of dimensionality on meta-modeling...

    https://matin.gatech.edu/groups/materials_informatics_course_fall_2016/wiki/metamodelPotentialenergysurfacePESmetamodelingandthesearchforminimumenergypathMEP