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Education

• PhD in materials science and engineering, ETH Zurich (2003)
• MSc (Diploma) in chemistry, ETH Zurich (2000)
• BSc (Prediploma) in chemistry, University of Heidelberg (1997)

Awards and Honors

• 2024 IAAM Scientist Medal
• 2023 NASA Group Achievement Award (US-COMP Institute)
• 2022 Guest Professor at the University of Paris Cite
• 2022��Amazon Scholar
• 2020 Fellow of the International Association for Advanced Materials (IAAM)
• 2020 Guest Professor at University of Paris
• 2018 Outstanding Mentor Award (CU Office of Postdoctoral Affairs)
• 2018 National Science Foundation Special Creativity Award
• 2016 Fellow of the Royal Society of Chemistry (UK)
• 2016��Sandmeyer Award (Swiss Chemical Society)
• 2014��Guest Professor at International Center for Materials Nanoarchitectonics (MANA), Tsukuba, Japan��
• 2013��Max Hey Medal (Mineralogical Society of UK and Ireland)
• 2011��George Brown Lectureship (Mineralogical Society, at Euroclay 2011)
• 2011��Guest Professor at ETH Zurich (2011)
• 2010��National Science Foundation CAREER Award
• 2009��Giovanni Novelli Prize (Italian Clay Group, at��14th Int. Clay Conf.)
• 2006��HP Outstanding Junior Faculty Award (ACS, COMP Division)
• 2005��Member of “AFOSR Star Team”
• 2001-2003��Graduate Scholarship of the German National Academic Foundation
• 1995-2000��Undergraduate Scholarship of the German National Academic Foundation
• 1994��Silver Medal, International Chemistry Olympiad

Research Interests

• Computer simulation of inorganic-(bio)organic interfaces and biomineralization
• Design of catalysts and functional materials
• Development of force fields for the prediction of multiphase material properties
• Hierarchical simulation of building materials and multiscale mechanics
• Structure-property relationships in polymer nanocomposites

Selected Publications

“Direct Correlation of Oxygen Adsorption on Platinum Electrolyte Interfaces with the Activity in the Oxygen Reduction Reaction”
Wang, S.; Zhu, E.; Huang, Y.; Heinz, H.
Sci. Adv. 2021, 7, eabb1435.

“Working Mechanisms and Design Principles of Comb-like Polycarboxylate Ether Superplasticizers in Cement Hydration: Quantitative Insights for a Series of Well-Defined Copolymers”
Javadi, A.; Jamil, T.; Abouzari-Lotf, E.; Soucek, M. D.; Heinz, H.
ACS Sustainable Chem. Eng. 2021, 9, 8354-8371. (IF 7.6) (Cover Art, June 28, )

“Understanding Surface Reactivity of Ligand-Protected Metal Nanoparticles for Biomass Upgrading”
Mark, L. O.; Zhu, C.; Medlin, J. W.; Heinz, H.
ACS Catal. 2020, 10, 5462-5474. ��()

“Mechanism of Molecular Interaction of Acrylate-Polyethylene Glycol Acrylate Copolymers with Calcium Silicate Hydrate Surfaces”
Jamil, T.; Javadi, A.; Heinz, H.
Green Chem. 2020, 22, 1577-1593. ��()

“Polyacrylonitrile Interactions with Carbon Nanotubes in Solution: Conformations and Binding as a Function of Solvent, Temperature, and Concentration”
Pramanik, C.; Jamil, T.; Gissinger, J. R.; Guittet, D.; Arias-Monje, P. J.; Kumar, S.; Heinz, H.
Adv. Funct. Mater. 2019, 29, 1905247.

“Observing Crystal Nucleation in Four Dimensions using Atomic Electron Tomography”
Zhou, J.; Yang, Y.; Yang, Y.; Kim, D. S.; Yuan, A.; Tian, X.; Ophus, C.; Sun, F.; Schmid, A. K.; Nathanson, M.; Heinz, H.; An, Q.; Zeng, H.; Ercius, P.; Miao, J.
Nature 2019, 570, 500-503.

“Long-Range Hierarchical Nanocrystal Assembly Driven by Molecular Structural Transformation”
Zhu, E.; Wang, S.; Yan, X.; Sobani, M.; Ruan, L.; Wang, C.; Liu, Y.; Duan, X.; Heinz, H.; Huang, Y.
J. Am. Chem. Soc. 2019, 141, 1498-1505. ��()

“Atomic-Scale Structure and Stress Release Mechanism in Core-Shell Nanoparticles”
Nathanson, M.; Kanhaiya, K.; Pryor, Jr., A.; Miao, J.; Heinz, H.
ACS Nano 2018, 12, 12296-12304.

“Building Two-Dimensional Materials One Row at a Time: Avoiding the Nucleation Barrier”
Chen, J.; Zhu, E.; Liu, J.; Zhang, S.; Lin, Z.; Duan, X.; Heinz, H.; Huang, Y.; De Yoreo, J. J.
Science 2018, 362, 1135-1139.

“Understanding Chemical Bonding in Alloys and the Representation in Atomistic Simulations”
Liu, J.; Tennessen, E.; Miao, J.; Huang, Y.; Rondinelli, J. M.; Heinz, H.
J. Phys. Chem. C 2018, 122, 14996-15009.

“Instantaneous Insight into Induced Charges at Metal Surfaces, Aqueous, and Biological Interfaces Using a Polarizable Lennard-Jones Potential”
Lorenzo Geada, I.; Ramezani-Dakhel, H.; Jamil, T., Sulpizi, M.; Heinz, H.
Nat. Comm. 2018, 9, 716.

“Carbon Nanotube Dispersion in Solvents and Polymer Solutions: Mechanisms, Assembly, and Preferences”
Pramanik, C.; Gissinger, J. R.; Kumar, S.; Heinz, H.
ACS Nano 2017, 11, 12805-12816.

“CEMFF: A Force Field Database for Cementitious Materials Including Validations, Applications and Opportunities”
Mishra, R. K.; Mohamed, A. K.; Geissbuhler, D.; Manzano, H.; Jamil, T.; Shahsavari, R.; Kalinichev, A. G.; Galmarini, S.; Tao, L.; Heinz, H.; Pellenq, R.; van Duin, A. C. T.; Parker, S. C.; Flatt, R.; Bowen, P.
Cem. Conr. Res. 2017, 102, 68-89.

“Simulations of Inorganic-Bioorganic Interfaces and Comparisons to Experiment to Discover New Materials: Progress, Challenges, and Opportunities”
Heinz, H.; Ramezani-Dakhel, H.
Chem. Soc. Rev. 2016, 45, 412-448.

”Three-Dimensional Positions of Individual Atoms in Materials Revealed by Electron Tomography”
Xu, R.; Chen, C. C.; Wu, L.; Scott, M. C.; Theis, W.; Ophus, C.; Bartels, M.; Yang, Y.; Ramezani-Dakhel, H.; Sawaya, M. R.; Heinz, H.; Marks, L. D.; Ercius, P.; Miao, J.
Nat. Mater. 2015, 14, 1099-1103.

“Elucidation of Peptide-Directed Palladium Surface Structure for Biologically-Tunable Nanocatalysts”
Bedford, N. M.; Ramezani-Dakhel, H.; Slocik, J. M.; Briggs, B. D.; Ren, Y.; Frenkel, A. I.; Petkov, V.; Heinz, H.; Naik, R. R.; Knecht, M. R.
ACS Nano 2015, 9, 5082-5092. . Cover Art (May).

“Molecular Mechanism of Specific Recognition of Cubic Pt Nanocrystals by Peptides and of the Concentration-Dependent Formation from Seed Crystals”
Ramezani-Dakhel, H.; Ruan, L.; Huang, Y.; Heinz, H.
Adv. Funct. Mater. 2015, 25, 1374-1384.

“Thermodynamically Consistent Force Fields and Molecular Models for the Assembly of Inorganic, Organic, and Biological Hybrid Nanostructures: The INTERFACE Force Field”
Heinz, H.; Lin, T. Z.; Mishra, R. K.; Emami, F. S.
Langmuir 2013, 29, 1754-1765. Invited Feature Article and Cover Art (Feb 12).

“Accurate Simulation of Surfaces and Interfaces of FCC Metals Using 12-6 and 9-6 Lennard-Jones Potentials”
Heinz, H.; Vaia, R. A.; Farmer, B. L.; Naik, R. R.
J. Phys. Chem. C 2008, 112, 17281­­-17290.

"Atomic Charges for Classical Simulations of Polar Systems"
Heinz, H.; Suter, U. W.
J. Phys. Chem. B 2004, 108, 18341-18352.

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