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  • H. Zhu, Z. Fan, S. Song, D. Eggert, Y. Liu, W. Shi, Y. Yuan, K. Kim, M. Grünwald, and Ou Chen, Dual Atomic Coherence in the Self-Assembly of Patchy Heterostructural Nanocrystals, ACS Nano, https://doi.org/10.1021/acsnano.2c06167.

  • J. Carpenter and M. Grünwald, Pre-Nucleation Clusters Predict Crystal Structures in Models of Chiral Molecules, JACS, https://doi.org/10.1021/jacs.1c09321

  • Yasutaka Nagaoka, Masayuki Suda, Insun Yoon, Na Chen, Hanjun Yang, Yuzi Liu, Brendan A. Anzures, Stephen W. Parman, Zhongwu Wang, Michael Grünwald, Hiroshi M. Yamamoto, Ou Chen, Bulk Grain-Boundary Materials from Nanocrystals, Chem, https://doi.org/10.1016/j.chempr.2020.12.026.

  • C.G. Bischak, M. Lai, D. Lu, Z. Fan, P. David, D. Dong, H. Chen, A.S. Etman, T. Lei, J. Sun, M. Grünwald, D.T. Limmer, P. Yang, N. Ginsberg, Liquid-Like Interfaces Mediate Structural Phase Transitions in Lead Halide Perovskites, Matter 2020, 3, 534-545.

  • J. Carpenter and M. Grünwald, Heterogeneous Interactions Promote Crystallization and Spontaneous Resolution of Chiral Molecules, JACS 2020, 142, 10755-10768.

  • Z. Fan and M. Grünwald, Energy vs. Entropy in Superlattices of Ligand-Covered Nanoparticles, ChemRxiv, https://doi.org/10.26434/chemrxiv.9178037.v1.

  • H. Zhu, Z. Fan, L. Yu, M. Wilson, Y. Nagaoka, D. Eggert, C. Cao, Y. Liu, Z. Wei, W. Zichao; X. Wang, J. He, J. Zhao, R. Li, Z. Wang, M. Grünwald, and O. Chen, Controlling Nanoparticle Orientations in the Self-Assembly of ‘Patchy’ Quantum Dot-Gold Heterostructural Nanocrystals, J. Am. Chem. Soc. 2019, 141, 14, 6013-6021.

  • Z. Fan and M. Grünwald, Orientational Order in Self-Assembled Nanocrystal Superlattices, J. Am. Chem. Soc. 2019, 141, 5, 1980-1988.

  • Y. Eygeris, E.V. White, Q. Wang, J.E. Carpenter, M. Grünwald, and I. Zharov, Responsive Nanoporous Membranes with Size Selectivity and Charge Rejection from Self-assembly of Polyelectrolyte “Hairy” Nanoparticles, ACS Appl. Mater. Interfaces 2019, 11, 3, 3407-3416.

  • T. Schäfer, Z. Fan, M. Grünwald, and G. Kresse, Ab initio phase diagram of PbSe crystals calculated with the Random Phase Approximation, Phys. Rev. B 98, 144103 (2018).

  • H. Zhu, Z. Fan, Y. Yuan, M. A. Wilson, K. Hills-Kimball, Z. Wei, J. He, R. Li, M. Grünwald and O. Chen, Self-Assembly of Quantum Dot-Gold Hetero-Dimer Nanocrystals with Orientational Order, Nano Lett. 2018, 18 (8), pp 5049–5056, DOI: 10.1021/acs.nanolett.8b01860.

  • Vu Nguyen and M. Grünwald, Microscopic origins of poor crystallinity in the synthesis of  covalent-organic framework COF-5, JACS, 2018, DOI: 10.1021/jacs.7b12529.

  • 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).