Jeffrey B. Neaton

发表

Theory and Simulation of Nanostructured Materials for Photovoltaic Applications

Jeffrey C. Grossman, Yosuke Kanai, Jeffrey B. Neaton, 2010, Computing in Science & Engineering.

Algorithm for efficient elastic transport calculations for arbitrary device geometries

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

molgw 1: Many-body perturbation theory software for atoms, molecules, and clusters

Chao Yang, Meiyue Shao, Jeffrey B. Neaton, 2016, Comput. Phys. Commun..

Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows

Matthew Horton, Zi-Kui Liu, Anubhav Jain, 2017 .

Simulation of Nanostructured Materials for Solar Energy Conversion

Jeffrey C. Grossman, Yosuke Kanai, Jeffrey B. Neaton, 2010 .

Electron transport and optical properties of carbon nanostructures from first principles

Steven G. Louie, Jeffrey B. Neaton, Catalin D. Spataru, 2005, Computer Physics Communications.

Mn 2 V 2 O 7 : An Earth Abundant Light Absorber for Solar Water Splitting

John M. Gregoire, Qimin Yan, Jeffrey B. Neaton, 2015 .

Solar fuel photoanodes prepared by inkjet printing of copper vanadates

John M. Gregoire, Aniketa Shinde, Dan Guevarra, 2016 .

Structural and excited-state properties of oligoacene crystals from first principles

Kristian Berland, Jeffrey B. Neaton, Leeor Kronik, 2016, 1604.00041.

Solid-state optical absorption from optimally tuned time-dependent range-separated hybrid density functional theory

Jeffrey B. Neaton, Leeor Kronik, Sahar Sharifzadeh, 2015, 1505.01602.

First-principles study of symmetry lowering and polarization in BaTiO3/SrTiO3 superlattices with in-plane expansion

Jeffrey B. Neaton, Karin M. Rabe, Xiangyang Huang, 2005 .

Gap renormalization of molecular crystals from density-functional theory

Jeffrey B. Neaton, Leeor Kronik, Roi Baer, 2013 .

Topological materials discovery using electron filling constraints

Jeffrey B. Neaton, Hoi Chun Po, Ashvin Vishwanath, 2016, Nature Physics.

High Throughput Discovery of Solar Fuels Photoanodes in the CuO–V2O5 System

John M. Gregoire, Aniketa Shinde, Dan Guevarra, 2015 .

Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals

Steven G. Louie, Jeffrey B. Neaton, Marco Bernardi, 2015, Nature Communications.

Low-Energy Charge-Transfer Excitons in Organic Solids from First-Principles: The Case of Pentacene

Jeffrey B. Neaton, Leeor Kronik, Sahar Sharifzadeh, 2013 .

Quasiparticle and optical spectroscopy of the organic semiconductors pentacene and PTCDA from first principles

Ariel Biller, Jeffrey B. Neaton, Leeor Kronik, 2012 .

Comprehensive study of carbon dioxide adsorption in the metal–organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)

Michael James, Jeffrey B. Neaton, Berend Smit, 2014 .

Bi-Containing n-FeWO4 Thin Films Provide the Largest Photovoltage and Highest Stability for a Sub-2 eV Band Gap Photoanode

Santosh K. Suram, John M. Gregoire, Aniketa Shinde, 2018, ACS Energy Letters.

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

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

Enrichment of molecular antenna triplets amplifies upconverting nanoparticle emission

Jeffrey B. Neaton, Edward S. Barnard, Emory M. Chan, 2018 .

Discovery of Manganese-Based Solar Fuel Photoanodes via Integration of Electronic Structure Calculations, Pourbaix Stability Modeling, and High-Throughput Experiments

Kristin A. Persson, Santosh K. Suram, Jie Yu, 2017 .

Observation of a two-dimensional Fermi surface and Dirac dispersion in YbMnSb2

Jeffrey B. Neaton, Julia Y. Chan, J. Neaton, 2017, 1708.03308.