Jeffrey B. Neaton
Atomic and Molecular Physics, and Optics · 2001–2021
A researcher in the Science corpus: 26 papers; trusts 4 researchers and is trusted by 10 researchers here, as inferred from the citation graph.
Subfields
- Atomic and Molecular Physics, and Optics — 158 citations into it
- Inorganic Chemistry — 55 citations into it
- Physical and Theoretical Chemistry — 50 citations into it
- Computational Chemistry & Drug Discovery — 15 citations into it
Whom Jeffrey B. Neaton trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
Who trusts Jeffrey B. Neaton overall
- Darrell Schlom
- K. Rabe
- M. Dawber
- N. Spaldin
- Long-qing Chen
- L. Martin
- C. Ederer
- Ramamoorthy Ramesh
- Y. Chu
- C. Eom
Papers from Jeffrey B. Neaton's perspective
Ordered by how strongly the researchers Jeffrey B. Neaton trusts endorse each paper. Same corpus, a different order for every researcher.
- Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
- Dependence of single-molecule junction conductance on molecular conformation (Nature)
- An object-oriented scripting interface to a legacy electronic structure code (Comput. Sci. Eng.)
- Single-molecule circuits with well-defined molecular conductance. (Nano letters (Print))
- Zero-bias molecular electronics: Exchange-correlation corrections to Landauer's formula
- New stellar constraints on dark photons
- Measurement of Single-Molecule Resistance by Repeated Formation of Molecular Junctions (Science)
- Electrodynamics of Solids: APPENDICES
- Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
- Transition-Metal Pentatelluride ZrTe 5 and HfTe 5 : A Paradigm for Large-Gap Quantum Spin Hall Insulators
Their papers
- First-principles study of spontaneous polarization in multiferroic BiFeO 3 (2004) — 1,111 citations
- Epitaxial BiFeO3 Multiferroic Thin Film Heterostructures (2003) — 5,654 citations
- First-principles study of metal adatom adsorption on graphene (2008) — 1,168 citations
- Theory of polarization enhancement in epitaxial BaTiO3/SrTiO3 superlattices (2002) — 288 citations
- Tunability of the dielectric response of epitaxially strained SrTiO3 from first principles (2004) — 157 citations
- Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows (2017) — 329 citations
- Renormalization of molecular electronic levels at metal-molecule interfaces. (2006) — 646 citations
- Ab initio study of the phase diagram of epitaxial BaTiO 3 (2004) — 177 citations
- Elastic properties of chemical-vapor-deposited monolayer MoS2, WS2, and their bilayer heterostructures. (2014) — 618 citations
- Small-Molecule Adsorption in Open-Site Metal–Organic Frameworks: A Systematic Density Functional Theory Study for Rational Design (2015) — 271 citations
- Quasiparticle and optical spectroscopy of the organic semiconductors pentacene and PTCDA from first principles (2011) — 144 citations
- Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package (2021) — 1,051 citations
- Enrichment of molecular antenna triplets amplifies upconverting nanoparticle emission (2018) — 230 citations
- Detection of sub-MeV dark matter with three-dimensional Dirac materials (2017) — 179 citations
- Charge density wave order in 1D mirror twin boundaries of single-layer MoSe2 (2016) — 239 citations
- Solid-state optical absorption from optimally tuned time-dependent range-separated hybrid density functional theory (2015) — 136 citations
- Cooperative insertion of CO2 in diamine-appended metal-organic frameworks (2015) — 1,118 citations
- Comprehensive study of carbon dioxide adsorption in the metal–organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) (2014) — 294 citations
- Low-Energy Charge-Transfer Excitons in Organic Solids from First-Principles: The Case of Pentacene (2013) — 186 citations
- Gap renormalization of molecular crystals from density-functional theory (2013) — 212 citations