David Prendergast

发表

Algorithm for efficient elastic transport calculations for arbitrary device geometries

Jeffrey B. Neaton, Douglas J. Mason, David Prendergast, 2011 .

Improving Continuum Models to Define Practical Limits for Molecular Models of Electrified Interfaces

David Prendergast, Artem Baskin, Artem Baskin, 2017 .

Efficient Calculation of Exact Exchange Within the Quantum Espresso Software Package

Thorsten Kurth, Jack Deslippe, Nathan Wichmann, 2017 .

Efficient implementation of core-excitation Bethe-Salpeter equation calculations

Eric L. Shirley, David Prendergast, John J. Rehr, 2015, Comput. Phys. Commun..

Velocity-gauge real-time TDDFT within a numerical atomic orbital basis set

Kazuhiro Yabana, David Prendergast, Shunsuke A. Sato, 2017, Comput. Phys. Commun..

Molecular Basis of Active Material-Blocking By Intrinsically Microporous Polymer Membranes in All-Organic Flow Batteries

Ashleigh L. Ward, Peter D. Frischmann, Brett A. Helms, 2016 .

Synchrotron-based spectroscopy for solar energy conversion

Zetian Mi, Franz J. Himpsel, David Prendergast, 2015, SPIE Optics + Photonics for Sustainable Energy.

Macromolecular Design Strategies for Long-Lived and Energy Efficient All-Organic Redox-Flow Batteries

Sean E. Doris, Ashleigh L. Ward, Peter D. Frischmann, 2017 .

Polymer Binders That Enhance Li-Ion Transport for High-Performance Li–S Batteries

Lin Ma, Brett A. Helms, David Prendergast, 2017 .

Theory-driven design of high-valence metal sites for water oxidation confirmed using in situ soft X-ray absorption.

Oleksandr Voznyy, Phil De Luna, Tom Regier, 2018, Nature chemistry.

Polysulfide-Blocking Microporous Polymer Membrane Tailored for Hybrid Li-Sulfur Flow Batteries.

Sean E. Doris, Ashleigh L. Ward, David Prendergast, 2015, Nano letters.

Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory.

David Prendergast, Yufeng Liang, John Vinson, 2016, Physical review letters.

Bloch-state-based interpolation: An efficient generalization of the Shirley approach to interpolating electronic structure

Steven G. Louie, David Prendergast, S. Louie, 2009 .

Bound excitons in metallic single-walled carbon nanotubes.

Jack Deslippe, David Prendergast, S. Louie, 2007, Nano letters.

X-ray absorption spectra of water from first principles calculations.

Giulia Galli, David Prendergast, G. Galli, 2006, Physical review letters.

Tuning electronic properties of graphene heterostructures by amorphous-to-crystalline phase transitions

David Prendergast, Robert O. Jones, Jaakko Akola, 2016 .

Design Rules for Membranes from Polymers of Intrinsic Microporosity for Crossover-free Aqueous Electrochemical Devices

Brett A. Helms, David Prendergast, Yet-Ming Chiang, 2019, Joule.

Macromolecular Design Strategies for Preventing Active-Material Crossover in Non-Aqueous All-Organic Redox-Flow Batteries.

Sean E. Doris, Ashleigh L. Ward, Peter D. Frischmann, 2017, Angewandte Chemie.

Cooperative insertion of CO2 in diamine-appended metal-organic frameworks

Jeffrey A. Reimer, Walter S. Drisdell, Jeffrey B. Neaton, 2015, Nature.

Reversible Mg-Ion Insertion in a Metastable One-Dimensional Polymorph of V2O5

David Prendergast, Robert F. Klie, Hyun Deog Yoo, 2018 .

The structure of interfacial water on gold electrodes studied by x-ray absorption spectroscopy

Cheng Hao Wu, Jinghua Guo, David Prendergast, 2014, Science.

The importance of inner-shell electronic structure for enhancing the EUV absorption of photoresist materials.

Patrick Naulleau, David Prendergast, D. F. Ogletree, 2017, The Journal of chemical physics.

Femtosecond x-ray spectroscopy of an electrocyclic ring-opening reaction

Stephen R. Leone, David Prendergast, Kristina D. Closser, 2017, Science.

Metal–oxygen decoordination stabilizes anion redox in Li-rich oxides

Gerbrand Ceder, William E. Gent, William C. Chueh, 2019, Nature Materials.

Direct and simultaneous observation of ultrafast electron and hole dynamics in germanium

Michael Zürch, David Prendergast, Daniel M Neumark, 2017, Nature Communications.