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Heinz, Hendrik Associate Professor

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Research

research overview

  • Our research focuses on the simulation of bionanomaterials and complex materials at the scale of 1 to 1000 nm including a methods development. Our force fields and interface builders (called INTERFACE-MD) are of leading accuracy and growing in coverage across the periodic table. We work on understanding (1) the formation of biominerals (bone, teeth), (2) understanding nucleation and growth of nanomaterials, (3) assembly of peptides and proteins on surfaces, (4) prediction of catalytic activity of alloys for various reactions, (5) corrosion mechanisms of alloys, (4) multiscale design of building materials, (6) rational understanding of carbon nanomaterials and polymer composites, (7) layered materials for sensors and hydrogels. The Interface force field is undergoing an expansion with increased coverage and a dedicated website. We also carry out DFT, kinetic Monte Carlo, and full electrolyte, polarizable, and reactive multiscale molecular dynamics simulations.

keywords

  • computational materials science, biomaterials, catalysiis, computational chemistry, inorganic-organic interfaces, nanocomposites, self-assembly, corrosion, soft matter

Publications

selected publications

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