Pinned Repositories
APFEforPI
Automated physical feature engineering for polymer informatics (APFEforPI), which has been utilized for the exploitation of high thermal conductivity amorphous polymers
HTPS4HTTEMOs
High-Throughput Screening for High-Temperature Thermoelectric Metal Oxides (HTPS4HTTEMOs)
IMLforPTC
Interpretable machine learning for polymer thermal conductivity (IMLforPTC) prediction via physical feature engineering
Inverse_Design_of_Polymers
Inverse Design of Polymers via Evolutionary Algorithm and Bayesian Optimization
ITC-X-EAopt
We demonstrate the optimization of ITC across nanostructures by developing an X+EA hybrid optimization method based on evolutionary algorithms (EAs) combined with the atomistic Green's function.
JAX-ReaxFF
JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields
kappa-metadata-schema
PMBO
Polymer Multiobjective Bayesian Optimization (PMBO) assiciated by physical descriptors
SJTU-MI's Repositories
SJTU-MI/APFEforPI
Automated physical feature engineering for polymer informatics (APFEforPI), which has been utilized for the exploitation of high thermal conductivity amorphous polymers
SJTU-MI/IMLforPTC
Interpretable machine learning for polymer thermal conductivity (IMLforPTC) prediction via physical feature engineering
SJTU-MI/HTPS4HTTEMOs
High-Throughput Screening for High-Temperature Thermoelectric Metal Oxides (HTPS4HTTEMOs)
SJTU-MI/Inverse_Design_of_Polymers
Inverse Design of Polymers via Evolutionary Algorithm and Bayesian Optimization
SJTU-MI/kappa-metadata-schema
SJTU-MI/PMBO
Polymer Multiobjective Bayesian Optimization (PMBO) assiciated by physical descriptors
SJTU-MI/ITC-X-EAopt
We demonstrate the optimization of ITC across nanostructures by developing an X+EA hybrid optimization method based on evolutionary algorithms (EAs) combined with the atomistic Green's function.
SJTU-MI/JAX-ReaxFF
JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields