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  • Vu Nguyen and M. Grünwald, Microscopic origins of poor crystallinity in the synthesis of  covalent-organic framework COF-5, submitted (2017).

  • L. Lupi, A. Hudait, B. Peters, M. Grünwald, R. G. Mullen, A. Nguyen, and V. Molinero, Role of Stacking Disorder in Ice Nucleation, Nature, 2017, DOI: 10.1038/nature24279.

  • M. Grünwald, S. Tricard, G. M. Whitesides, and P. L. Geissler, Exploiting non-equilibrium phase separation for self-assembly, Soft Matter, 2015, DOI: 10.1039/C5SM01922B.

  • M. Grünwald and P. L. Geissler, Patterns without patches: Hierarchical assembly of complex structures from simple building blocks, ACS Nano 8, 5891 (2014).

  • H. Eshet, M. Grünwald and E. Rabani, The electronic structure of CdSe/CdS core/shell seeded nanorods: type-I or quasi-type-II?, Nano Letters 13, 5880 (2013).

  • M. Grünwald, K. Lutker, A. P. Alivisatos, E. Rabani, and P. L. Geissler, Metastability in pressure-induced structural transformations of CdSe/ZnS core/shell nanocrystals, Nano Letters 13, 1367 (2013).

  • M. Grünwald, A.Zayak, J. B. Neaton, P. L. Geissler, and E. Rabani, Transferable Pair Potentials for CdS and ZnS crystals, J. Chem. Phys. 136, 234111 (2012).

  • M. Grünwald, S. Jungblut, and C. Dellago, Transition path sampling of phase transitions – nucleation and growth in materials hard and soft, “Hierarchical Methods for Dynamics in Complex Molecular Systems”, Publication Series of the John von Neumann Institute for Computing (2012).

  • J. Henzie, M. Grünwald, A. Widmer-Cooper, P. L. Geissler, and P. Yang, Self-assembly of uniform polyhedral silver nanocrystals into densest packings and exotic superlattices, Nature Materials 11, 131-137 (2012).

  • M. Grünwald and C. Dellago, Transition path sampling studies of solid-solid transformations in nanocrystals under pressure, in "Trends in Computational Nanomechanics: Transcending Length and Time Scales", edited by T. Dumitrica, Springer (2010).

  • M. Grünwald and C. Dellago, Transition state analysis of solid-solid transformations in nanocrystals, J. Chem. Phys. 131, 164116 (2009).

  • M. Grünwald and C. Dellago, Nucleation and growth in structural transformations of nanocrystals, Nano Lett. 9, 2099 (2009).

  • M. Grünwald, C. Dellago, and P. L. Geissler, Precision shooting: Sampling long transition pathways, J. Chem. Phys. 129, 194101 (2008).

  • M. Grünwald, C. Dellago, and P. L. Geissler, An efficient transition path sampling algorithm for nanoparticles under pressure, J. Chem. Phys. 127, 154718 (2007).

  • M. Grünwald and C. Dellago, Ideal gas pressure bath: a method for applying hydrostatic pressure in the computer simulation of nanoparticles, Mol. Phys. 104, 3709 (2006).

  • M. Grünwald, E. Rabani, and C. Dellago, Mechanisms of the wurtzite to rocksalt transformation in CdSe nanocrystals, Phys. Rev. Lett. 96, 255701 (2006).