All About Computational Porous Materials Science
This account explores computational & ML-driven discovery in porous frameworks:
Porous materials deserve better ML
#PorousMaterials #MaterialsML #ComputationalChemistry #MachineLearning
This account explores computational & ML-driven discovery in porous frameworks:
Porous materials deserve better ML
#PorousMaterials #MaterialsML #ComputationalChemistry #MachineLearning
February 27, 2026 at 4:48 AM
All About Computational Porous Materials Science
This account explores computational & ML-driven discovery in porous frameworks:
Porous materials deserve better ML
#PorousMaterials #MaterialsML #ComputationalChemistry #MachineLearning
This account explores computational & ML-driven discovery in porous frameworks:
Porous materials deserve better ML
#PorousMaterials #MaterialsML #ComputationalChemistry #MachineLearning
Addresses numerical fragility in many-body calculations using agent-guided data curation and multi-fidelity machine learning, enabling reliable high-throughput prediction of quasiparticle gaps and exciton binding energies in strained van der Waals bilayers.
#GW-BSE #MaterialsML #Research
#GW-BSE #MaterialsML #Research
Agent-Guided Multi-Fidelity Learning of GW-BSE Excited-State Properties
arxiv.org
June 9, 2026 at 9:24 AM
Addresses numerical fragility in many-body calculations using agent-guided data curation and multi-fidelity machine learning, enabling reliable high-throughput prediction of quasiparticle gaps and exciton binding energies in strained van der Waals bilayers.
#GW-BSE #MaterialsML #Research
#GW-BSE #MaterialsML #Research