Tim Moore

Computational scientist designing new materials.

Titles link to a PDF of that publication (with supplementary information included!). †equal contribution.

Engineering and direct imaging of nanocube self-assembly pathways. Zhong, Y.† and Moore, T. C.† and Dwyer, T.† and Butrum-Griffith, A. and Allen, V. R. and Chen, J. and Wang, Y. and Cheng, F. and Glotzer, S. C. and Ye, X. Nature Chemical Engineering vol. 1 (2024). doi:10.1038/s44286-024-00102-9.

Crystallization of binary nanocrystal superlattices and the relevance of short-range attraction. Marino, E. and LaCour, R. A. and Moore, T. C. and van Dongen, S. W. and Keller, A. W. and An, D. and Yang, S. and Rosen, D. J. and Gouget, G. and Tsai, E. H. and Kagan, C. R. and Kodger, T. E. and Glotzer, S. C. and Murray, C. B. Nature Synthesis vol. 3 (2024). doi:10.1038/s44160-023-00460-x.

Inverse design of triblock Janus spheres for self-assembly of complex structures in the crystallization slot via digital alchemy. Moore, T. C. and Rivera-Rivera, L. Y. and Glotzer, S. C. Soft Matter vol. 19 (2023). doi:10.1039/D2SM01593E.

Tunable assembly of host–guest colloidal crystals. Dwyer, T. and Moore, T. C. and Anderson, J. A. and Glotzer, S. C. Soft Matter vol. 19 (2023). doi:10.1039/D3SM00891F.

Tuning Stoichiometry to Promote Formation of Binary Colloidal Superlattices. LaCour, R. A. and Moore, T. C. and Glotzer, S. C. Physical Review Letters vol. 128 (2022). doi:10.1103/PhysRevLett.128.188001.

Using molecular simulation to understand the skin barrier. Shamaprasad, P. and Frame, C. O. and Moore, T. C. and Yang, A. and Iacovella, C. R. and Bouwstra, J. A. and Bunge, A. L. and McCabe, C. Progress in Lipid Research vol. 88 (2022). doi:10.1016/j.plipres.2022.101184.

Multiscale Simulation of Ternary Stratum Corneum Lipid Mixtures: Effects of Cholesterol Composition. Shamaprasad, P. and Moore, T. C. and Xia, D. and Iacovella, C. R. and Bunge, A. L. and McCabe, C. Langmuir vol. 38 (2022). doi:10.1021/acs.langmuir.2c00471.

Shape-driven entropic self-assembly of an open, reconfigurable, binary host–guest colloidal crystal. Moore, T. C. and Anderson, J. A. and Glotzer, S. C. Soft Matter vol. 17 (2021). doi:10.1039/d0sm02073g.

Examining Tail and Headgroup Effects on Binary and Ternary Gel-Phase Lipid Bilayer Structure. Yang, A. and Moore, T. C. and Iacovella, C. R. and Thompson, M. and Moore, D. J. and McCabe, C. The Journal of Physical Chemistry B vol. 124 (2020). doi:10.1021/acs.jpcb.0c00490.

Influence of single-stranded DNA coatings on the interaction between graphene nanoflakes and lipid bilayers. Moore, T. C. and Yang, A. H. and Ogungbesan, O. and Hartkamp, R. and Iacovella, C. R. and Zhang, Q. and McCabe, C. The Journal of Physical Chemistry B vol. 123 (2019). doi:10.1021/acs.jpcb.9b04042.

Analysis of self-assembly pathways with unsupervised machine learning algorithms. Adorf, C. S. and Moore, T. C. and Melle, Y. and Glotzer, S. C. The Journal of Physical Chemistry B vol. 124 (2020). doi:10.1021/acs.jpcb.9b09621.

Effect of ceramide tail length on the structure of model stratum corneum lipid bilayers. Moore, T. C. and Hartkamp, R. and Iacovella, C. R. and Bunge, A. L. and McCabe, C. Biophysical Journal vol. 114 (2018). doi:10.1016/j.bpj.2017.10.031.

Composition dependence of water permeation across multicomponent gel-phase bilayers. Hartkamp, R. and Moore, T. C. and Iacovella, C. R. and Thompson, M. A. and Bulsara, P. A. and Moore, D. J. and McCabe, C. The Journal of Physical Chemistry B vol. 122 (2018). doi:10.1021/acs.jpcb.8b00747.

Molecular dynamics simulations of stratum corneum lipid mixtures: a multiscale perspective. Moore, T. C. and Iacovella, C. R. and Leonhard, A. C. and Bunge, A. L. and McCabe, C. Biochemical and Biophysical Research Communications vol. 498 (2017). doi:10.1016/j.bbrc.2017.09.040.

Development of a coarse-grained water forcefield via multistate iterative Boltzmann inversion. Moore, T. C. and Iacovella, C. R. and McCabe, C. (2016). doi:10.1007/978-981-10-1128-3_3.

A coarse-grained model of stratum corneum lipids: free fatty acids and ceramide NS. Moore, T. C. and Iacovella, C. R. and Hartkamp, R. and Bunge, A. L. and McCabe, C. The Journal of Physical Chemistry B vol. 120 (2016). doi:10.1021/acs.jpcb.6b08046.

Investigating the structure of multicomponent gel-phase lipid bilayers. Hartkamp, R. and Moore, T. C. and Iacovella, C. R. and Thompson, M. A. and Bulsara, P. A. and Moore, D. J. and McCabe, C. Biophysical Journal vol. 111 (2016). doi:10.1016/j.bpj.2016.07.016.

Structural properties of phospholipid-based bilayers with long-chain alcohol molecules in the gel phase. Hartkamp, R. and Moore, T. C. and Iacovella, C. R. and Thompson, M. A. and Bulsara, P. A. and Moore, D. J. and McCabe, C. The Journal of Physical Chemistry B vol. 120 (2016). doi:10.1021/acs.jpcb.6b10192.

Derivation of coarse-grained potentials via multistate iterative Boltzmann inversion. Moore, T. C. and Iacovella, C. R. and McCabe, C. The Journal of Chemical Physics vol. 140 (2014). doi:10.1063/1.4880555.

Simulation study of the structure and phase behavior of ceramide bilayers and the role of lipid headgroup chemistry. Guo, S. and Moore, T. C. and Iacovella, C. R. and Strickland, L. A. and McCabe, C. Journal of Chemical Theory and Computation vol. 9 (2013). doi:10.1021/ct400431e.