Ion Transport at Polymer-Argyrodite Interfaces.

Autor: Chen Y; Pritzker School of Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States., Liang D; Pritzker School of Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States., Lee EMY; Department of Materials Science and Engineering, University of California, Irvine, California 92697, United States., Muy S; Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland., Guillaume M; Syensqo R&I, Rue de Tansbeek 310, 1120 Brussels, Belgium., Braida MD; Syensqo R&I, 52 rue de la Haie Coq, 93300 Aubervilliers, France., Emery AA; Syensqo R&I, Rue de Tansbeek 310, 1120 Brussels, Belgium., Marzari N; Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland., de Pablo JJ; Pritzker School of Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States.

Publikováno v: ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2024 Sep 11; Vol. 16 (36), pp. 48223-48234. Date of Electronic Publication: 2024 Aug 30.

Strain and rupture of HIV-1 capsids during uncoating.

Autor: Yu A; Department of Chemistry, Chicago Center for Theoretical Chemistry, Institute for Biophysical Dynamics, and James Franck Institute, The University of Chicago, Chicago, IL 60637., Lee EMY; Pritzker School of Molecular Engineering, The University of Chicago, Chicago, IL 60637., Briggs JAG; Department of Cell and Virus Structure, Max Planck Institute of Biochemistry, 82152 Martinsried, Germany., Ganser-Pornillos BK; Department of Molecular Physiology and Biological Physics, University of Virginia, Charlottesville, VA 22903., Pornillos O; Department of Molecular Physiology and Biological Physics, University of Virginia, Charlottesville, VA 22903., Voth GA; Department of Chemistry, Chicago Center for Theoretical Chemistry, Institute for Biophysical Dynamics, and James Franck Institute, The University of Chicago, Chicago, IL 60637.

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2022 Mar 08; Vol. 119 (10), pp. e2117781119. Date of Electronic Publication: 2022 Mar 01.

Neural Network Sampling of the Free Energy Landscape for Nitrogen Dissociation on Ruthenium.

Autor: Lee EMY; Pritzker School of Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, United States., Ludwig T; SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, California 94305, United States.; SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, United States., Yu B; Pritzker School of Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, United States., Singh AR; SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, California 94305, United States., Gygi F; Department of Computer Science, University of California, Davis, California 95616, United States., Nørskov JK; SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, California 94305, United States.; SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, United States.; Department of Physics, Technical University of Denmark, Lyngby 2800, Denmark., de Pablo JJ; Pritzker School of Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, United States.; Argonne National Laboratory, 9700 Cass Avenue, Lemont, Illinois 60439, United States.

Publikováno v: The journal of physical chemistry letters [J Phys Chem Lett] 2021 Mar 25; Vol. 12 (11), pp. 2954-2962. Date of Electronic Publication: 2021 Mar 17.

Solving the Trivial Crossing Problem While Preserving the Nodal Symmetry of the Wave Function.

Autor: Lee EMY; Pritzker School of Molecular Engineering , The University of Chicago , Chicago , Illinois 60637 , United States., Willard AP; Department of Chemistry , Massachusetts Institute of Technology , Cambridge , Massachusetts 02139 , United States.

Publikováno v: Journal of chemical theory and computation [J Chem Theory Comput] 2019 Aug 13; Vol. 15 (8), pp. 4332-4343. Date of Electronic Publication: 2019 Jul 29.

Molecular engineered conjugated polymer with high thermal conductivity.

Autor: Xu Y; Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA., Wang X; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA., Zhou J; Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA., Song B; Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA., Jiang Z; Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439, USA., Lee EMY; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA., Huberman S; Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA., Gleason KK; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA., Chen G; Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.

Publikováno v: Science advances [Sci Adv] 2018 Mar 30; Vol. 4 (3), pp. eaar3031. Date of Electronic Publication: 2018 Mar 30 (Print Publication: 2018).