基本信息
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职业迁徙
个人简介
I apply computational chemistry techniques to the research and design of novel porous adsorbent and catalytic materials, such as Metal-Organic Frameworks (MOFs), and zeolite materials.
My specialties are: computational chemistry including molecular dynamics, Monte Carlo, force fields, density functional theory and ab initio techniques
The themes of my current projects are:
- Physical Chemistry of Materials
- Adsorption and diffusion in porous materials
- Modelling of the electronic structure of conducting materials
- Modelling gas-solid interfaces
- Mixed-Matrix Membranes (modelling of MOF-polymer interfaces)
研究兴趣
论文共 51 篇作者统计合作学者相似作者
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期刊级别
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ACS Applied Materials & Interfacesno. 14 (2022): 16820-16829
Nature communicationsno. 1 (2018)
MODELLING AND SIMULATION IN THE SCIENCE OF MICRO- AND MESO-POROUS MATERIALS (2018)
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作者统计
#Papers: 51
#Citation: 4558
H-Index: 28
G-Index: 47
Sociability: 5
Diversity: 3
Activity: 10
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