Research output per year
Research output per year
Personal profile
Research interests
I have a wide range of research interests that include computer-aided molecular design, molecular simulation, quantum mechanical modeling of reaction mechanisms, and process modeling. These interests apply to fields such as carbon capture, pharmaceutical synthesis and manufacture, and understanding biological membranes.
Key Research Words/Phrases
computer-aided molecular design, molecular simulation, reaction mechanism, process modelling, quantum mechanical modelling, carbon capture, biological membrane
Biography
- PhD in Chemical Engineering (Imperial College London, 2023)
- MRes in Molecular Science & Engineering (Imperial College London, 2019)
- Study abroad student in Chemistry (Queen's University Belfast, 2018)
- BEng in Applied Chemistry (East China University of Science and Technology, 2018)
Fingerprint
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Collaborations and top research areas from the last five years
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Discrete and mixed-variable experimental design with surrogate-based approach
Zhu, M., Mroz, A., Gui, L., Jelfs, K. E., Bemporad, A., del Río Chanona, E. A. & Lee, Y. S., 28 Oct 2024, (E-pub ahead of print) In: Digital Discovery.Research output: Contribution to journal › Article › peer-review
Open AccessFile9 Downloads (Pure) -
On the design of optimal computer experiments to model solvent effects on reaction kinetics
Gui, L., Armstrong, A., Galindo, A., Sayyed, F. B., Kolis, S. P. & Adjiman, C. S., 1 Dec 2024, In: Molecular Systems Design and Engineering. 9, 12, p. 1254-1274 21 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile1 Citation (Scopus)1 Downloads (Pure) -
Integrating model-based design of experiments and computer-aided solvent design
Gui, L., Yu, Y., Oliyide, T. O., Siougkrou, E., Armstrong, A., Galindo, A., Sayyed, F. B., Kolis, S. P. & Adjiman, C. S., Sept 2023, In: Computers and Chemical Engineering. 177, 108345.Research output: Contribution to journal › Article › peer-review
Open AccessFile3 Citations (Scopus)73 Downloads (Pure) -
Uncovering the Most Kinetically Influential Reaction Pathway Driving the Generation of HCN from Oxyma/DIC Adduct: A Theoretical Study
Gui, L., Adjiman, C. S., Galindo, A., Sayyed, F. B., Kolis, S. P. & Armstrong, A., 18 Jan 2023, In: Industrial and Engineering Chemistry Research. 62, 2, p. 874-880 7 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile5 Citations (Scopus)37 Downloads (Pure) -
Computer-aided solvent design for suppressing HCN generation in amino acid activation
Gui, L., Armstrong, A., Galindo, A., Sayyed, F. B., Kolis, S. P. & Adjiman, C. S., 2022, 32nd European Symposium on Computer Aided Process Engineering. Elsevier, p. 607-612 6 p. (Computer Aided Chemical Engineering; vol. 51).Research output: Chapter in Book/Report/Conference proceeding › Chapter
5 Citations (Scopus)