2023
A computationally-guided non-equilibrium synthesis approach to materials discovery in the SrO-Al<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub> phase field (Journal article)
Duncan, E. M., Ridouard, A., Fayon, F., Veron, E., Genevois, C., Allix, M., . . . Pitcher, M. J. (2023). A computationally-guided non-equilibrium synthesis approach to materials discovery in the SrO-Al<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub> phase field. CHEMICAL COMMUNICATIONS, 59(70), 10544-10547. doi:10.1039/d3cc03120aDOI: 10.1039/d3cc03120a
Adamson, D., Gusev, V. V., Deligkas, A., Antypov, D., Collins, C. M., Krysta, P., . . . Rosseinsky, M. J. (2023). Optimality Guarantees for Crystal Structure Prediction. Nature. doi:10.1038/s41586-023-06071-yDOI: 10.1038/s41586-023-06071-y
Zamaraeva, E., Collins, C. M., Antypov, D., Gusev, V. V., Savani, R., Dyer, M. S., . . . Spirakis, P. G. (n.d.). Reinforcement Learning in Crystal Structure Prediction. Digital Discovery. doi:10.1039/d3dd00063jDOI: 10.1039/d3dd00063j
2022
Hargreaves, C. J. J., Gaultois, M. W. W., Daniels, L. M. M., Watts, E. J. J., Kurlin, V. A. A., Moran, M., . . . Dyer, M. S. S. (2023). A database of experimentally measured lithium solid electrolyte conductivities evaluated with machine learning. NPJ COMPUTATIONAL MATERIALS, 9(1). doi:10.1038/s41524-022-00951-zDOI: 10.1038/s41524-022-00951-z
Leube, B. T., Collins, C. M., Daniels, L. M., Duff, B. B., Dang, Y., Chen, R., . . . Rosseinsky, M. J. (2022). Cation Disorder and Large Tetragonal Supercell Ordering in the Li-Rich Argyrodite Li<sub>7</sub>Zn<sub>0.5</sub>SiS<sub>6</sub>. CHEMISTRY OF MATERIALS, 34(9), 4073-4087. doi:10.1021/acs.chemmater.2c00320DOI: 10.1021/acs.chemmater.2c00320
2021
Collins, C. M., Daniels, L. M., Gibson, Q., Gaultois, M. W., Moran, M., Feetham, R., . . . Rosseinsky, M. J. (2021). Discovery of a Low Thermal Conductivity Oxide Guided by Probe Structure Prediction and Machine Learning. Angewandte Chemie, 133(30), 16593-16601. doi:10.1002/ange.202102073DOI: 10.1002/ange.202102073
Collins, C. M., Daniels, L. M., Gibson, Q., Gaultois, M. W., Moran, M., Feetham, R., . . . Rosseinsky, M. J. (2021). Discovery of a Low Thermal Conductivity Oxide Guided by Probe Structure Prediction and Machine Learning. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 60(30), 16457-16465. doi:10.1002/anie.202102073DOI: 10.1002/anie.202102073
2019
Gamon, J., Duff, B. B., Dyer, M. S., Collins, C., Daniels, L. M., Surta, T. W., . . . Rosseinsky, M. J. (2019). Computationally Guided Discovery of the Sulfide Li<sub>3</sub>AlS<sub>3</sub> in the Li-Al-S Phase Field: Structure and Lithium Conductivity. CHEMISTRY OF MATERIALS, 31(23), 9699-9714. doi:10.1021/acs.chemmater.9b03230DOI: 10.1021/acs.chemmater.9b03230
Taylor, Z. N., Perez, A. J., Coca-Clemente, J. A., Braga, F., Drewett, N. E., Pitcher, M. J., . . . Rosseinsky, M. J. (2019). Stabilization of O-O Bonds by d(0) Cations in Li4+xNi1-xWO6 (0 <= x <= 0.25) Rock Salt Oxides as the Origin of Large Voltage Hysteresis. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 141(18), 7333-7346. doi:10.1021/jacs.8b13633DOI: 10.1021/jacs.8b13633
2018
Applications of crystal structure prediction - organic molecular structures: general discussion (Journal article)
Adjiman, C. S., Brandenburg, J. G., Braun, D. E., Cole, J., Collins, C., Cooper, A. I., . . . Zhu, Q. (2018). Applications of crystal structure prediction - organic molecular structures: general discussion. FARADAY DISCUSSIONS, 211, 493-539. doi:10.1039/c8fd90032aDOI: 10.1039/c8fd90032a
Structure searching methods: general discussion (Journal article)
Addicoat, M., Adjiman, C. S., Arhangelskis, M., Beran, G. J. O., Brandenburg, J. G., Braun, D. E., . . . Zhu, Q. (2018). Structure searching methods: general discussion. FARADAY DISCUSSIONS, 211, 133-180. doi:10.1039/c8fd90030bDOI: 10.1039/c8fd90030b
Collins, C., Darling, G. R., & Rosseinsky, M. J. (2018). The Flexible Unit Structure Engine (FUSE) for probe structure-based composition prediction.. Faraday discussions. doi:10.1039/c8fd00045jDOI: 10.1039/c8fd00045j
2017
Collins, C., Dyer, M. S., Pitcher, M. J., Whitehead, G. F. S., Zanella, M., Mandal, P., . . . Rosseinsky, M. J. (2017). Accelerated discovery of two crystal structure types in a complex inorganic phase field. Nature, 546(7657), 280-284. doi:10.1038/nature22374DOI: 10.1038/nature22374
Denis Romero, F., Pitcher, M. J., Hiley, C. I., Whitehead, G. F. S., Kar, S., Ganin, A. Y., . . . Rosseinsky, M. J. (2017). Redox-controlled potassium intercalation into two polyaromatic hydrocarbon solids. Nature Chemistry, 9, 644-652. doi:10.1038/NCHEM.2765DOI: 10.1038/NCHEM.2765
2015
Charge Storage Mechanism of Activated Manganese Oxide Composites for Pseudocapacitors (Journal article)
Wu, T., Hesp, D., Dhanak, V., Collins, C., Braga, F., Hardwick, L., & Hu, C. (2015). Charge Storage Mechanism of Activated Manganese Oxide Composites for Pseudocapacitors. Journal of Materials Chemistry A, 3, 12786-12795. doi:10.1039/C5TA03334ADOI: 10.1039/C5TA03334A
Barrow, M., Taylor, A., Nieves, D. J., Bogart, L. K., Mandal, P., Collins, C. M., . . . Adams, D. J. (2015). Tailoring the surface charge of dextran-based polymer coated SPIONs for modulated stem cell uptake and MRI contrast. BIOMATERIALS SCIENCE, 3(4), 608-616. doi:10.1039/c5bm00011dDOI: 10.1039/c5bm00011d
2014
Reported and predicted structures of Ba(Co,Nb)<sub>1-δ</sub>O<sub>3</sub> hexagonal perovskite phases (Journal article)
Bradley, K. A., Collins, C., Dyer, M. S., Claridge, J. B., Darling, G. R., & Rosseinsky, M. J. (2014). Reported and predicted structures of Ba(Co,Nb)<sub>1-δ</sub>O<sub>3</sub> hexagonal perovskite phases. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16(39), 21073-21081. doi:10.1039/c4cp01542hDOI: 10.1039/c4cp01542h
Computational prediction and experimental confirmation of B-site doping in YBa<sub>2</sub>Fe<sub>3</sub>O<sub>8</sub> (Journal article)
Collins, C., Dyer, M. S., Demont, A., Chater, P. A., Thomas, M. F., Darling, G. R., . . . Rosseinsky, M. J. (2014). Computational prediction and experimental confirmation of B-site doping in YBa<sub>2</sub>Fe<sub>3</sub>O<sub>8</sub>. CHEMICAL SCIENCE, 5(4), 1493-1505. doi:10.1039/c3sc52734dDOI: 10.1039/c3sc52734d
Control of Co content and SOFC cathode performance in Y<sub>1-<i>y</i></sub>Sr<sub>2+<i>y</i></sub>Cu<sub>3-<i>x</i></sub>Co<i><sub>x</sub></i>O<sub>7+δ</sub> (Journal article)
Simo, F., Payne, J. L., Demont, A., Sayers, R., Li, M., Collins, C. M., . . . Rosseinsky, M. J. (2014). Control of Co content and SOFC cathode performance in Y<sub>1-<i>y</i></sub>Sr<sub>2+<i>y</i></sub>Cu<sub>3-<i>x</i></sub>Co<i><sub>x</sub></i>O<sub>7+δ</sub>. SOLID STATE SCIENCES, 37, 23-32. doi:10.1016/j.solidstatesciences.2014.07.013DOI: 10.1016/j.solidstatesciences.2014.07.013
2013
Dyer, M. S., Collins, C., Hodgeman, D., Chater, P. A., Demont, A., Romani, S., . . . Rosseinsky, M. J. (2013). Computationally Assisted Identification of Functional Inorganic Materials. SCIENCE, 340(6134), 847-852. doi:10.1126/science.1226558DOI: 10.1126/science.1226558
Undated
Collins, C. (n.d.). Oxide structure prediction and synthesis. (PhD Thesis, University of Liverpool).
