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个人简介
In addition to my research projects, during this time I’ve been leading the computational team. We have discussed results and time frames, fixed issues collaboratively and brainstormed new ideas and routes to make our projects evolve effectively. I’ve supervised their work but also helped and supported them to develop their own projects and those we were working on as team.
My research line focused mostly on computational high-throughput screening of MOFs for applications such as gas storage, gas separation and drug delivery. The adsorption data generated by these molecular simulations was then explored visually and analytically, and machine learning methods were applied to find structure-performance relationships in the data. I had experience already using Bash for high-performance computing, but this time I learnt Python to mine and explore data efficiently.
In terms of research, I’ve guided and took part in collaborations with other institutions, such as U. of Glasgow and U. of Manchester. And, finally, I had the chance to supervise final research projects of brilliant BSc and MSc students whose work have proven to be a valuable starting point for some new projects in the group.
My research line focused mostly on computational high-throughput screening of MOFs for applications such as gas storage, gas separation and drug delivery. The adsorption data generated by these molecular simulations was then explored visually and analytically, and machine learning methods were applied to find structure-performance relationships in the data. I had experience already using Bash for high-performance computing, but this time I learnt Python to mine and explore data efficiently.
In terms of research, I’ve guided and took part in collaborations with other institutions, such as U. of Glasgow and U. of Manchester. And, finally, I had the chance to supervise final research projects of brilliant BSc and MSc students whose work have proven to be a valuable starting point for some new projects in the group.
研究兴趣
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AI‐Guided Design and Property Prediction for Zeolites and Nanoporous Materialspp.201-232, (2023)
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Chemical Scienceno. 45 (2022): 13507-13523
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciencesno. 2266 (2022)
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