Research output per year
Research output per year
Personal profile
Research interests
https://mts503.github.io
My research primarily focusses on understanding self-assembly processes in ordered materials, and rationalising experimental trends in ordered systems using computational methods. A recent project has yielded novel insights into the structure of ferroelectric liquid crystals, specifically in the nature of the structural change at the SmC - SmA phase transition.
Additional research has also involved calculations to rationalise trends in reaction kinetics of novel bioorthogonal reagents in collaboration with Dr Valery Kozhevnikov, and calculating binding properties of ligands designed for actinide extraction in collaboration with Dr Frank Lewis.
See "Key Publications" below for further details.
Fingerprint
Dive into the research topics where Mark Sims is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
- 1 Similar Profiles
Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Research output
- 15 Article
-
Catching up with tetrazines: coordination of Re(i) to 1,2,4-triazine facilitates an inverse electron demand Diels–Alder reaction with strained alkynes to a greater extent than in corresponding 1,2,4,5-tetrazines
Sims, M., Kyriakou, S., Matthews, A., Deary, M. E. & Kozhevnikov, V. N., 21 Aug 2023, In: Dalton Transactions. 52, 31, p. 10927-10932 6 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile2 Downloads (Pure) -
Stereoselective two-carbon ring expansion of allylic amines via electronic control of palladium-promoted equilibria
Mikan, C. P., Matthews, A., Harris, D., McIvor, C. E., Waddell, P. G., Sims, M. T. & Knowles, J. P., 7 Jul 2023, In: Chemical Science. 14, 25, p. 6992-6996 5 p., d3sc02303f.Research output: Contribution to journal › Article › peer-review
Open AccessFile3 Downloads (Pure) -
Sub-layer rationale of anomalous layer-shrinkage from atomistic simulations of a fluorinated mesogen
Poll, K. & Sims, M. T., 21 Jan 2022, In: Materials Advances. 3, 2, p. 1212-1223 12 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile1 Citation (Scopus)8 Downloads (Pure) -
An insight into de Vries behaviour of smectic liquid crystals from atomistic molecular dynamics simulations
Poll, K. & Sims, M. T., 7 Oct 2020, In: Journal of Materials Chemistry C. 8, 37, p. 13040-13052 13 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile5 Citations (Scopus)11 Downloads (Pure) -
Exploring the Subtle Effect of Aliphatic Ring Size on Minor Actinide Extraction Properties and Metal Ion Speciation in Bis‐1,2,4‐Triazine Ligands
Zaytsev, A., Bulmer, R., Kozhevnikov, V., Sims, M., Modolo, G., Wilden, A., Waddell, P., Geist, A., Panak, P., Wessling, P. & Lewis, F., 7 Jan 2020, In: Chemistry - A European Journal. 26, 2, p. 428-437 10 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile22 Citations (Scopus)21 Downloads (Pure)