• Shiyi started a postdoc appointment in the group of Adam Weber, Lawrence Berkeley National Laboratory (November 2021)
  • Sam started a postdoc appointment in the group Max Bonomi, Institut Pasteur (CNRS), Paris (September 2021)
  • Hendrik promoted to full professor (July 2021)
  • Shiyi published new IFF parameters for molecular oxygen, hydrogen, and nitrogen – a large improvement in quality and compatibility over earlier force fields – see JCTC
  • Congratulations to Ali and Tariq for their first-author work on explaining the working mechanism and new design parameters for superplasticizers in Portland cement, also featured on the journal cover of ACS Sustainable Chemistry and Engineering


  • Congratulations to Shiyi for her first-author paper on explaining oxygen binding to platinum surfaces in electrolytes and quantitatively predicting the relative ORR activity for the first time using a computational method: The work has been featured in 10+ news releases and blogs (June)
  • Congratulations to Shiyi Wang for receiving the Ramirez Graduate Fellowship for excellence in scholarship and research. Very well deserved, Shiyi! (May)
  • Congratulations to Krishan Kanhaiya for receiving the Mukhopadhyay Graduate Fellowship for excellence in scholarship and research. Very well deserved, Krishan! (May)
  • Student evaluations in the Spring Chemical Engineering Materials class (CHEN 4440) reached new 12-year high (4.7/5.0) and in ChemE Senior Lab (CHEN 4130) at 4.9/5.0
  • Hendrik starting as Senior Editor for Langmuir – the ACS journal of Colloids and Interfaces. Many thanks to the Editor-in-chief and editorial team for the nomination! Also, great compliments to the fantastic team of New Journal of Chemistry and to the Royal Society of Chemistry where he enjoyed his role as Associate Editor from 2017 to 2021, and to RSC Advances (Associate Editor from 2015 to 2017).
  • Congratulations to Krishan for his first-author paper on compatible force fields for 10 fcc metals, steel and their interfaces, which exceed the reliability of DFT calculations, in NPJ Computational Materials (January)


  • Congratulations to Jordan for the Outstanding Poster Presentation award at the MRS Fall meeting 2020, Symposium CT04 on Structural Composites.
  • Hendrik elected as Fellow of the International Association for the Advancement of Materials (FIAAM) and received a Vebleo Scientist award
  • Congratulations to Luis and Cheng for their work in Chemical Science on a force field for MoS2 any inorganic/organic interfaces & the journal cover 2020_Chem_Sci_cover_Luis_Cheng
  • Student evaluations in Spring Chemical Engineering Materials class (size 50+) reached 12-year high (4.6/5.0)
  • Congratulations to Sam for being selected as a Chateaubriand Fellow for visiting the University of Paris for a joint research project in 2020-2021.
  • Congratulations to Lesli and Cheng for better understanding biomass upgrading reactions on palladium nanoparticle catalysts, now published in ACS Catalysis with an upcoming journal cover.


  • Congratulations to Tariq for deciphering comb-copolymer interactions with C-S-H surfaces in cement, now published in Green Chemistry. The work is highlighted on the journal cover.



The Journal of Physical Chemistry C

  • Spring ACS meeting in Orlando – Polymer interphases symposium (PMSE)polymer_interphases_dinner
    (left to right: Peter Coveney, UCL; Luke Henderson, Deakin U; Sinan Keten, Northwestern U; Young Jong Kang, Hanyang U; Ahmed Ghobadi, P&G; Hilmar Koerner, AFRL; Russell Varley, Deakin U; Reinhold Dauskardt, Stanford U; Richard Vaia, AFRL; Jodie Lutkenhaus, Texas A&M U; Sameer Rahatekar, Cranfield U; Dhriti Nepal, AFRL; Catherin Brinson, Duke U; Hendrik Heinz, U Colorado, Michael Bockstaller, CMU)
  • Aerospace polymers symposium (POLY)aerospace_polymers_symposium_dinner
    (left to right: Witold Fuchs, USM; Luke Henderson, Deakin U; Jared Bates, USM; Hendrik Heinz, U Colorado; Gregory Odegard, Michigan Tech; Triet Nguyen-Beck, AFRL; Rajiv Berry, AFRL; Vikas Varshney, AFRL (back); Carla Reynolds, Boeing (middle); Sameer Rahatekar, Cranfield U (front); Dhriti Nepal, AFRL; Jeffrey Wiggins, USM (back); Michael Van Tooren, U South Carolina; Russell Varley, Deakin U; Debra Barnhardt, U Queensland (back); Andrea Browning, Schrodinger (middle); Virginia Davis, AUburn U (front); Peter Coveney, UCL; Theo Dingemans, UNC; Kenneth Caster, AFOSR)
  • Multiscale modeling panel (POLY)multiscale_modeling_panel


  • Juan’s work with Yu Huang and Jim De Yoreo on peptide nucleation on MoS2 is published in Science (December)
  • Hendrik receives CU Outstanding Mentor Award (with Juan Liu and Ryan Reeves)
    2018_hendrik_and_juan_mentor_award_1.jpg DSC01192_with_ryan_reeves
  • Congratulations to Tariq Jamil for his successful PhD defense! (August)
  • Group dinner downtown
    group_photo_20180427_2 group_photo_20180427_3
    (left to right: Amanda Garley, Lesli Mark, Juan Liu, Shiyi Wang, Samuel Hoff, Michael Nathanson, Joe Manning, Tariq Jamil, Krishan Kanhaiya, Hendrik Heinz, Mahdi Tavakol)
  • Welcome Joe Manning, visiting PhD student from University of Sheffield (UK) with an RSC research mobility grant
  • Yu Huang (UCLA), John Miao (UCLA), and Hendrik Heinz (team-lead) receive a Special Creativity Award from the National Science Foundation for outstanding progress in the Materials Genome Initiative (February)
  • Welcome Mahdi Tavakol, visiting PhD student and National Talent Scholar (January)
  • Invited seminar on multiscale modeling and mechanics of building materials at ETH Zurich (January)
  • Heinz team and Marialore Sulpizi (U Mainz) introduce the first polarizable and compatible model for metals (Nat. Comm.) (January)

News Archive

Past memories .. Heinz group in 2009SANYO DIGITAL CAMERA
(left to right: Ratan Mishra, Yao-Tsung Fu, Jie Feng, Hendrik Heinz, Kshitij Jha, Rajiv Berry, Fateme Emami, Hua Liu)


Societies, Conferences and Workshops