Publications

Titlesort descending Author Year Publication type
Data-Driven Prediction of Formation Mechanisms of Lithium Ethylene Monocarbonate with an Automated Reaction Network Xie X; Clark Spotte-Smith EW; Wen M; Patel HD; Blau SM; Persson KA 2021 Journal Article
Database of ab initio L-edge X-ray absorption near edge structure Chen Y; Chen C; Zheng C; Dwaraknath S; Horton MK; Cabana J; Rehr J; Vinson J; Dozier A; Kas JJ; Persson KA; Ong SP 2021 Journal Article
Defect Induced Modification of Low-Lying Excitons and Valley Selectivity in Monolayer Transition Metal Dichalcogenides S. Refaely-Abramson; D. Y. Qiu; S. G. Louie; J. B. Neaton 2018 Journal Article
Defect-Accommodating Intermediates Yield Selective Low-Temperature Synthesis of YMnO3 Polymorphs Todd PK; Wustrow A; McAuliffe RD; McDermott MJ; Tran GT; McBride BC; Boeding ED; O’Nolan D; Lui CH; Dwaraknath SS; Chapman KW; Billinge SJL; Persson KA; Huq A; Veith GM; Neilson JR 2020 Journal Article
Defect-mediated ripening of core-shell nanostructures Zhang Q; Peng X; Nie Y; Wang L; Limmer DT; Zheng H 2022 Journal Article
Demonstrating Scalable Randomized Benchmarking of Universal Gate Sets Hines J; Proctor T; Siddiqi I 2023 Journal Article
Demonstrating scalable randomized benchmarking of universal gate sets Hines J .........; Siddiqi I; Whaley B; Proctor T 2022 Journal Article
Demonstration of a quantum-classical coprocessing protocol for simulating nuclear reactions Turro F; Siddiqi I 2023 Journal Article
Dendrimer-Stabilized Metal Nanoparticles as Efficient Catalysts for Reversible Dehydrogenation/Hydrogenation of N-Heterocycles C. Deraedt; R. Ye; W. T. Ralston; F. D. Toste; G. A. Somorjai 2017 Journal Article
Density functional theory assessment of the lithiation thermodynamics and phase evolution in si-based amorphous binary alloys Sivonxay E; Persson KA 2022 Journal Article
Density of states prediction for materials discovery via contrastive learning from probabilistic embeddings Kong S; Ricci F; Guevarra D; Neaton JB; Gomes CP; Gregoire JM 2022 Journal Article
Density Tunable Graphene Aerogels Using a Sacrificial Polycyclic Aromatic Hydrocarbon S. Turner; H. Long; B. Shevitski; T. Pham; M. Lorenzo; E. Kennedy; S. Aloni; M. Worsley; A. Zettl 2017 Journal Article
Design and synthesis of multigrain nanocrystals via geometric misfit strain Myoung Hwan Oh; Min Gee Cho; Dong Young Chung; Inchul Park; Youngwook Paul Kwon; Colin Ophus; Dokyoon Kim; Min Gyu Kim; Beomgyun Jeong; X. Wendy Gu; Jinwoung Jo; Ji Mun Yoo; Jaeyoung Hong; Sara McMains; Kisuk Kang; Yung-Eun Sung; A. Paul Alivisatos; Taeghwan Hyeon 2020 Journal Article
Design Criteria for Micro-Optical Tandem Luminescent Solar Concentrators David Needell; Ognjen Ilic; Colton Bukowsky; Zach Nett; Lu Xu; Junwen He; Haley Bauser; Benjamin Lee; John Geisz; Ralph Nuzzo; A. Paul Alivisatos; Harry Atwater 2018 Journal Article
Design of 18 nm Doxorubicin-Loaded 3-Helix Micelles: Cellular Uptake and Cytotoxicity in Patient-Derived GBM6 Cells Jung BT; Jung K; Lim M; Li M; Santos R; Ozawa T; Xu T 2020 Journal Article
Design of a Metal–Organic Framework with Enhanced Back Bonding for Separation of N2 and CH4 K. Lee; W. Isley; A. Dzubak; P. Verma; S. Stoneburner; L. Lin; J. Howe; E. Bloch; D. Reed; M. Hudson; C. Brown; J. Long; J. B. Neaton; B. Smit; C. Cramer; et. al 2013 Journal Article
Design of higher valency in covalent organic frameworks Gropp C; Ma T; Hanikel N; Yaghi OM 2020 Journal Article
Design optimization of sub-5 nm node nanosheet field effect transistors to minimize self-heating effects Ding F; Wong H; Liu TK 2021 Journal Article
Design Principles for Trap-Free CsPbX3 Nanocrystals: Enumerating and Eliminating Surface Halide Vacancies with Softer Lewis Bases David P. Nenon; Kimo Pressler; Jun Kang; Brent A. Koscher; Jacob H. Olshansky; Wojciech T. Osowiecki; Matthew A. Koc; Lin-Wang Wang; A. Paul Alivisatos 2018 Journal Article
Design Rules for Self-Assembly of 2D Nanocrystal/Metal-Organic Framework Superstructures F. Qiu; J. Edison; Z. Preisler; Y.-F. Zhang; G. Li; A. Pan; C.-H. Hsu; T. Mattox; P. Ercius; C. Song; K. Bustillo; M. Brady; E. Zaia; S. Jeong; J. B. Neaton 2018 Journal Article
Design Technology Co-Optimization for Back-End-of-Line Nonvolatile NEM Switch Arrays Tatum LP; Sikder U; Liu TK 2021 Journal Article
Designing sub-20 nm self-assembled nanocarriers for small molecule delivery: Interplay among structural geometry, assembly energetics, and cargo release kinetics Jung BT; Lim M; Jung K; Li M; Dong H; Dube N; Xu T 2021 Journal Article
Designing transparent conductors using forbidden optical transitions Woods-Robinson R; Persson KA 2023 Journal Article
Detecting, distinguishing, and spatiotemporally tracking photogenerated charge and heat at the nanoscale Weaver HL; Ginsberg NS 2023 Journal Article
Detection of Kardar–Parisi–Zhang hydrodynamics in a quantum Heisenberg spin-1/2 chain Scheie A; Sherman NE; Dupont M; Nagler SE; Stone MB; Granroth GE; Moore JE; Tennant DA 2021 Journal Article
Detection of Sub-MeV Dark Matter with Three-Dimensional Dirac Materials Y. Hochberg; Y. Kahn; M. Lisanti; K. M. Zurek; A. G. Grushin; R. Ilan; S. M. Griffin; Z-F. Liu; S. F. Weber; J. B. Neaton 2018 Journal Article
Development and Elucidation of Superior Turnover Rates and Selectivity of Supported Molecular Catalysts R. Ye; W-C. Liu; H-L. Han; G. A. Somorjai 2017 Journal Article
Difference frequency generation in topological semimetals De Juan F; Zhang Y; Morimoto T; Sun Y; Moore JE; Grushin AG 2020 Journal Article
Digital Reticular Chemistry Lyu H; Ji Z; Wuttke S; Yaghi OM 2020 Journal Article
Direct Correlation of Single-Particle Motion to Amorphous Microstructural Components of Semicrystalline Poly(ethylene oxide) Electrolytic Films Roberts TD; Yuan R; Xiang L; Delor M; Pokhrel R; Yang K; Aqad E; Marangoni T; Trefonas P; Xu K; Ginsberg NS 2020 Journal Article
Direct electrical modulation of second-order optical susceptibility via phase transitions Wang Y; Xiao J; Chung TF; Nie Z; Yang S; Zhang X 2021 Journal Article
Direct Evaluation of Rare Events in Active Matter From Variational Path Sampling Das A; Kuznets-Speck B; Limmer DT 2022 Journal Article
Direct geometric probe of singularities in band structure Brown CD; Chang SW; Schwarz MN; Leung TH; Kozii V; Avdoshkin A; Moore JE; Stamper-Kurn D 2022 Journal Article
Direct Mechanochemical Synthesis, Phase Stability, and Electrochemical Performance of α-NaFeO2 McAuliffe RD; Veith GM; Persson KA 2023 Journal Article
Direct observation of Klein tunneling in phononic crystals X. Jiang; C. Shi; S. Wang; Y. Wang; S. Yang; S. G. Louie; X. Zhang; Z. Li 2020 Journal Article
Direct Observation of Transient Structural Dynamics of Atomically Thin Halide Perovskite Nanowires Gao M; Yang P 2023 Journal Article
Direct Observation of Transient Structural Dynamics of Atomically Thin Halide Perovskite Nanowires Gao M; Yang P; Limmer DT 2023 Journal Article
Directed assembly of layered perovskite heterostructures as single crystals M. L. Aubrey; A. S. Valdes; M. R. Filip; B. A. Connor; K. P. Lindquist; J. B. Neaton; H. I. Karunadasa 2021 Journal Article
Directing Molecular Weaving of Covalent Organic Frameworks and Their Dimensionality by Angular Control Han X; Yaghi OM 2023 Journal Article
Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode P. Newhouse; S. Reyes-Lillo; G. Li; L. Zhou; A. Shinde; D. Guevarra; S. Suram; E. Soedarmadji; M. Richter; X. Qu; K. Persson; J. B. Neaton; J. M. Gregoire 2017 Journal Article
Discovery of Manganese-Based Solar Fuel Photoanodes via Integration of Electronic Structure Calculations, Pourbaix Stability Modeling, and High-Throughput Experiments A. Shinde; S. K. Suram; Q. Yan; L. Zhou; A. K. Singh; J. Yu; K. A. Persson; J. B. Neaton; J. M. Gregoire 2017 Journal Article
Disordered topological graphs enhancing nonlinear phenomena Jia Z; Kanté B; Moore JE 2023 Journal Article
Dissecting and Modeling Zeaxanthin- and Lutein-Dependent Nonphotochemical Quenching in Arabidopsis Thaliana M. Leuenberger; J. M. Morris; A. M. Chan; L. Leonelli; K. K. Niyogi; G. Fleming 2017 Journal Article
Dissipation bounds the amplification of transition rates far from equilibrium 2021 Journal Article
Distinct Chemistries Explain Decoupling of Slip and Wettability in Atomically Smooth Aqueous Interfaces Poggioli AR; Limmer DT 2021 Journal Article
Diversifying Composition Leads to Hierarchical Composites with Design Flexibility and Structural Fidelity Ma L,; Huang H; Vargo E; Huang J; Anderson CL; Chen T; Kuzmenko I; Ilavsky J; Wang C; Liu Y; Ercius P 2021 Journal Article
Docking of CuI and AgI in Metal–Organic Frameworks for Adsorption and Separation of Xenon Wang H; Shi Z; Yang J; Sun T; Rungtaweevoranit B; Lyu H; Zhang YB; Yaghi OM 2021 Journal Article
DOI: https://doi.org/10.1038/s41467-023-43799-7Thermodynamic behavior of correlated electron-hole fluids in van der Waals heterostructures Qi R; Wang F 2023 Journal Article
Driving ultrafast spin and energy modulation in quantum well states via photo-induced electric fields Ciocys, ST; Maksimovic, N; Analytis, J; Lanzara, A 2022 Journal Article
Dynamic lattice distortions driven by surface trapping in semiconductor nanocrystals Guzelturk B; Cotts BL; Alivisatos AP; Salleo A; Rabani E; Lindenberg AM 2021 Journal Article