Non-equilibrium simulations of thermally induced electric fields in water P Wirnsberger, D Fijan, A Šarić, M Neumann, C Dellago, D Frenkel The Journal of Chemical Physics 144 (22), 2016 | 28 | 2016 |
Biradical character in the ground state of [Mn@ Si 12]+: a DFT and CASPT2 study V Arcisauskaite, D Fijan, M Spivak, C de Graaf, JE McGrady Physical Chemistry Chemical Physics 18 (34), 24006-24014, 2016 | 16 | 2016 |
Numerical evidence for thermally induced monopoles P Wirnsberger, D Fijan, RA Lightwood, A Šarić, C Dellago, D Frenkel Proceedings of the National Academy of Sciences 114 (19), 4911-4914, 2017 | 14 | 2017 |
Conformational analysis of spiro-epoxides by principal component analysis of molecular dynamics trajectories T Hrenar, I Primožič, D Fijan, MM Elenkov Physical Chemistry Chemical Physics 19 (47), 31706-31713, 2017 | 14 | 2017 |
Conserved water networks identification for drug design using density clustering approaches on positional and orientational data J Tosovic, D Fijan, M Jukic, U Bren Journal of chemical information and modeling 62 (23), 6105-6117, 2022 | 10 | 2022 |
The interactions between thermodynamic anomalies D Fijan, M Wilson The Journal of chemical physics 151 (2), 2019 | 6 | 2019 |
Liquid state anomalies and the relationship to the crystalline phase diagram D Fijan, M Wilson Physical Review E 99 (1), 010103, 2019 | 6 | 2019 |
The progression of thermodynamic anomalies in MX2 networks with local tetrahedral geometries D Fijan, M Wilson Journal of Physics: Condensed Matter 32 (27), 275102, 2020 | 4 | 2020 |
The nature of the A 2Π state in BeF SJ Prosser, WG Richards Journal of Physics B: Atomic and Molecular Physics 13 (14), 2767, 1980 | 4 | 1980 |
The characterisation of the “X” crystal structure in the Stillinger-Weber potential D Fijan, M Wilson Chemical Physics Letters 685, 316-321, 2017 | 3 | 2017 |
Thermodynamic anomalies, polyamorphism and all that D Fijan, M Wilson Philosophical Transactions of the Royal Society A 381 (2258), 20220336, 2023 | 2 | 2023 |
Thermodynamic Anomalies in Silicon and the Relationship to the Phase Diagram. D Fijan, M Wilson Journal of Physics: Condensed Matter 33 (42), 425404, 2021 | 1 | 2021 |
Change point detection of events in molecular simulations using dupin BL Butler, D Fijan, SC Glotzer Computer Physics Communications 304, 109297, 2024 | | 2024 |
Novel Tools for Studying Crystallization Pathways of Shaped Particles into Complex Crystals D Fijan, B Butler, T Waltmann, P Schönhöfer, C Zhao, MW Rashidi, ... 2024 AIChE Annual Meeting, 2024 | | 2024 |
A Classical Density Functional Theory of Entropic Colloidal Crystals K Pepa, IR Spivack, T Teague, D Fijan, SC Glotzer 2024 AIChE Annual Meeting, 2024 | | 2024 |
Mapping Reciprocal Space to Real Space: A Semi-Automated Tool for Advanced Defect Analysis in 3D K Wang, D Fijan, S Glotzer Bulletin of the American Physical Society, 2024 | | 2024 |
Anatomy of a complex crystallization pathway C Zhao, D Fijan, S Glotzer Bulletin of the American Physical Society, 2024 | | 2024 |
Discovering Assembly Pathways for Complex Crystals: An A15 Case Study M Ward Rashidi, D Fijan, B Butler, S Glotzer Bulletin of the American Physical Society, 2024 | | 2024 |
A real-space method for describing, constructing and understanding quasicrystals D Fijan, A Cadotte, S Glotzer APS March Meeting Abstracts 2023, K16. 008, 2023 | | 2023 |
A real-space self-similarity based method for describing, constructing and understanding quasicrystals and phason flips D Fijan, A Cadotte, S Glotzer APS March Meeting Abstracts 2023, G00. 166, 2023 | | 2023 |