Restricted Research - Award List, Note/Discussion Page
Fiscal Year: 2023
2087 The University of Texas at Dallas (143975)
Principal Investigator: Cho,Kyeongjae
Total Amount of Contract, Award, or Gift (Annual before 2011): $ 995,707
Exceeds $250,000 (Is it flagged?): Yes
Start and End Dates: 3/31/23 - 12/31/23
Restricted Research: YES
Academic Discipline: Material Science Engineering
Department, Center, School, or Institute: ECS
Title of Contract, Award, or Gift: Machine Learning Methods for Predictive Atomic and Electronic Structures of Nanostructure Interfaces for THz Device Simulations with DFT Accuracy
Name of Granting or Contracting Agency/Entity:
Defense Adv Resear Projects Agenc
CFDA: 12
Program Title: none
Note:
DoD flow-through; The UTD NanoSim team will develop machine learning interatomic potentials and TB models for heterostructure interface systems trained on DFT and beyond DFT (HSE, GW, TDDFT) data sets. We will then apply them to atomic and electronic structure calculations to provide input data to Monte Carlo simulations of transient electron dynamics and device simulations using Ginestra® for comparison with literature data of THz GaAs Schottky diodes at frequencies between 325 GHz and 500 GHz.
Discussion: No discussion notes