Lv658
2530 积分 2025-11-23 加入
Integrating Machine Learning with High-Throughput Screening Technology to Drive Molecular Sieve Design for Air Separation Oxygen Production
11天前
已完结
Theoretical study on the efficient electrochemical catalytic conversion of 5-hydroxymethylfurfural on MXene
1个月前
已关闭
Machine learning-assisted high-throughput screening of MOFs for efficient adsorption and separation of CF4/N2
1个月前
已完结
Accelerating the discovery and optimization of metal-organic framework materials via machine learning
1个月前
已完结
Transfer learning-enabled discovery of MXenes as efficient anchoring materials for Li–S batteries
2个月前
已完结
RUPTURA: simulation code for breakthrough, ideal adsorption solution theory computations, and fitting of isotherm models
2个月前
已完结
Charge equilibration for molecular dynamics simulations
3个月前
已完结
Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology
3个月前
已完结
Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials
3个月前
已完结
RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials
3个月前
已完结
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