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An equivariant graph neural network for the elasticity tensors of all seven crystal systems |
Wen, M.; Horton, M. K.; Munro, J. M.; Huck, P.; Persson, K. A. |
2024 |
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Unlocking Li superionic conductivity in face-centred cubic oxides via face-sharing configurations |
Chen Y; Lun Z; Zhao X; Koirala KP; Li L; Sun Y |
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The Microscopic Mechanism of Lithiation and Delithiation in the Ag/C Buffer Layer for Anode-Free Solid-State Batteries |
Xie F; Diallo MS; Kim H; Tu QH; Ceder G |
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Image and data mining in reticular chemistry powered by GPT-4V |
Zheng Z; He Z; Khattab O; Rampal N; Zaharia MA; Borgs C; Chayes JT; Yaghi OM |
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Mechanistically Guided Materials Chemistry: Synthesis of Ternary Nitrides, CaZrN2 and CaHfN2 |
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Optimal thermodynamic conditions to minimize kinetic by-products in aqueous materials synthesis |
Wang Z; Sun Y; Cruse K; Zeng Y; Fei Y; Liu Z |
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High-throughput determination of Hubbard U and Hund J values for transition metal oxides via the linear response formalism |
Moore, G. C.; Horton, M. K.; Linscott, E.; Ganose, A. M.; Siron, M.; O'Regan, D. D.; Persson, K. A. |
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Effect of solid-electrolyte pellet density on failure of solid-state batteries |
Diallo MS; Shi T; Zhang Y; Peng X; Shozib I; Wang Y |
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Mapping charge excitations in generalized Wigner crystals |
Li H; Xiang Z; Regan E; Zhao W; Sailus R; Banerjee R; Taniguchi T; Watanabe K; Tongay S; Zettl A; Crommie MF; Wang F |
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Sn-assisted heteroepitaxy improves ZnTiN2 photoabsorbers |
Mangum JS; Ke S; Gish MK; Raulerson EK; Perkins CL; Neaton JB; Zakutayev A; Greenaway AL |
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Synchronized states in a ring of dissipatively coupled harmonic oscillators |
Moreno JN; Wächtler CW; Eisfeld A |
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CoeffNet: predicting activation barriers through a chemically-interpretable, equivariant and physically constrained graph neural network |
Vijay, S.; Venetos, M. C.; Spotte-Smith, E. W. C.; Kaplan, A. D.; Wen, M.; Persson, K. A. |
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Candidate ferroelectrics via ab initio high-throughput screening of polar materials |
Ricci F; Reyes-Lillo SE; Mack SA; Neaton JB |
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Selective formation of metastable polymorphs in solid-state synthesis |
Zeng Y; Szymanski NJ; He T; Jun K; Gallington LC; Huo H |
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Realization of two-sublattice exchange physics in the triangular lattice compound Ba3Er(BO3)3 |
Ennis M; Bag R; Liu C; Dissanayake SE; Kolesnikov AI; Balents L; et al |
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Water-Enhanced Direct Air Capture of Carbon Dioxide in Metal–Organic Frameworks |
Chen OI; Liu C-H; Wang K; Borrego-Marin E; Li H; Alawadhi AH; Navarro JAR; Yaghi OM |
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Programmable Heisenberg interactions between Floquet qubits |
Barré E; Dandu M.; Kundu S.; Sood A.; da Jornada FH; Raja A |
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Programmable Heisenberg interactions between Floquet qubits |
Nguyen LB; Siddiqi I |
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Chern dartboard insulator: sub-Brillouin zone topology and skyrmion multipoles |
Chen Y-C; Lin Y-P; Kao Y-J |
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The challenges and promise of sweat sensing |
Davis N; Heikenfeld J; Milla C; Javey A |
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Harvesting Water from Air with High-Capacity, Stable Furan-Based Metal–Organic Frameworks |
Alawadhi AH; Chheda S; Stroscio GD; Rong Z; Kurandina D; Nguyen HL; Rampal N; Zheng Z; Gagliardi L; Yaghi OM |
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Local atomic stacking and symmetry in twisted graphene trilayers |
Craig IM; Van Winkle M; Groschner C; Zhang K; Dowlatshahi N; Zhu Z; Taniguchi T; Watanabe K; Griffin SM; Bediako DK |
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Jobflow: Computational Workflows Made Simple |
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Engineering correlated insulators in bilayer graphene with a remote Coulomb superlattice |
Zhang Z; Xie J; Zhao W; Qi R; Sanborn C; Wang S; Kahn S; Watanabe K; Taniguchi T; Zettl A; Crommie MF; Wang F |
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Supramolecular assembly of blue and green halide perovskites with near-unity photoluminescence |
Zhu C; Jin J; Wang Z; Xu Z; Folgueras MC; Jiang Y; Uzundal CB; Le HK; Wang F; Zheng X; Yang P |
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A Critical Analysis of Chemical and Electrochemical Oxidation Mechanisms in Li-Ion Batteries |
Spotte-Smith, E. W. C.; Vijay, S.; Petrocelli, T. B.; Rinkel, B. L. D.; McCloskey, B. D.; Persson, K. A. |
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Engineering correlated insulators in bilayer graphene with a remote Coulomb superlattice |
Zhang Z; Xie J; Zhao W; Qi R; Sanborn C; Wang S; Kahn S; Watanabe K; Taniguchi T; Zettl A; Crommie MF; Wang F |
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Imaging moiré excited states with photocurrent tunnelling microscopy |
Li H; Xiang Z; Naik MH; Kim W; Li Z; Sailus R; Banerjee R; Taniguchi T; Watanabe K; Tongay S; Zettl A; da Jornada FH; Louie SG; Crommie MF; Wang F |
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Selective Synthesis of Defect-Rich LaMnO3 by Low-Temperature Anion Cometathesis |
Tran GT; Wustrow A; O’Nolan D; Tao S; Bartel CJ; He T |
2023 |
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Real-Time Multistep Asymmetrical Disassembly of Nucleosomes and Chromatosomes Visualized by High-Speed Atomic Force Microscopy |
Onoa B; Díaz-Celis C; Cañari-Chumpitaz C; Lee A; Bustamante C |
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Topological quantum synchronization of fractionalized spins |
Wächtler CW; Moore JE |
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Crystalline Polyphenylene Covalent Organic Frameworks |
Han X; Zhou Z; Wang K; Zheng Z; Neumann SE; Zhang H; Ma T; Yaghi OM |
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Crystalline Polyphenylene Covalent Organic Frameworks |
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Thermodynamic behavior of correlated electron-hole fluids in van der Waals heterostructures |
Qi R; Wang F; Crommie MF |
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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 |
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Shaping the Water-Harvesting Behavior of Metal–Organic Frameworks Aided by Fine-Tuned GPT Models |
Zheng Z; Yaghi OM |
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Large-scale efficient mid-wave infrared optoelectronics based on black phosphorus ink |
Gupta N; Javey A |
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Structural Chemistry of Zeolitic Imidazolate Frameworks |
Zheng Z; Yaghi OM |
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Energy Funneling in a Noninteger Two-Dimensional Perovskite |
Oddo A; Yang P |
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Controlled catalyst transfer polymerization in graphene nanoribbon synthesis |
Pun SH; Delgado A; Dadich C; Cronin A; Fischer FR |
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Five-Membered Rings Create Off-Zero Modes in Nanographene |
Jacobse PH; Daugherty MC; Crommie MF |
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Optical absorption spectra of metal oxides from time-dependent density functional theory and many-body perturbation theory based on optimally-tuned hybrid functionals |
Ohad G; Camarasa-Gómez M; Haber JB |
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Importance of nonuniform Brillouin zone sampling for ab initio Bethe-Salpeter equation calculations of exciton binding energies in crystalline solids |
Alvertis AM; Neaton JB |
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Iodide oxidation by ozone at the surface of aqueous microdroplets |
Prophet AM; Ghosh A; Limmer DT |
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Operando methods: A new era of electrochemistry |
Yang Y; Yang P |
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Bidirectional Energy Flow in the Photosystem II Supercomplex |
Leonardo C; Yang SJ; Orcutt K; Iwai M; Arsenault EA; Fleming GR |
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Room-Temperature, Current-Induced Magnetization Self-Switching in A Van Der Waals Ferromagnet |
Zhang H; Chen X; Ramesh R; Crommie MF |
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Breakdown of helical edge state topologically protected conductance in time-reversal-breaking excitonic insulators |
Wang Y-Q; Papaj M; Moore JE |
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Contact engineering for graphene nanoribbon devices |
Mutlu Z; Dinh C; Bokor J; Crommie MF |
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Circular Polydiketoenamine Elastomers with Exceptional Creep Resistance via Multivalent Cross-Linker Design |
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