Results 161 to 170 of about 1,602 (228)

Machine Learning Potential for Calcium Silicate Hydrates With Broad Compositional and Structural Diversity

Advanced Science, EarlyView.
Existing machine learning potentials remain limited in their ability to generalize across the broad chemical and structural variability of C–S–H. Here, a representative DFT‐labeled dataset is constructed through large‐scale model generation, redundancy‐controlled screening, first‐principles optimization, and targeted sampling of non‐equilibrium ...
Yunjian Li, Cheng Chen, Roland J.‐M. Pellenq, Zongjin Li, Jiaping Liu   +4 more
wiley   +1 more source

Microcrystal Electron Diffraction-Guided Discovery of Fungal Metabolites. [PDF]

J Am Chem Soc
Delgadillo DA, Wu L, Wang C, Zhang Y, Jha KK, Burch JE, de Moraes LS, Rodriguez IH, Tang MJ, Bills GF, Tu BP, Tang Y, Nelson HM.   +12 more
europepmc   +1 more source

Spin Splitting Coupled Visible‐Light Driven Injection Photocurrent in Bilayer Altermagnets

Advanced Science, EarlyView.
Interlayer engineering in bilayer altermagnets continuously tunes visible‐light injection photocurrents, accompanied by controllable altermagnetic spin splitting. Enhanced interlayer hybridization reconstructs the band and quantum geometries, leading to opposite evolution of the normal and magnetic injection currents and establishing a direct ...
Huanhuan Yang, Yee Sin Ang, Sheng Meng, Xiao Jiang   +3 more
wiley   +1 more source

A near-complete reassembled haplotype-resolved reference genome of Acer truncatum. [PDF]

Sci Data
Wang L, Wang ZW, Ma HY, Sun ZM, Zhang RG, Qin X, Jia KH, Liu D.   +7 more
europepmc   +1 more source

Osmium Nanoparticle Anchoring on CoFe Layered Double Hydroxides Enables High‐Valent Species Stabilization and Efficient Seawater Oxygen Evolution

Advanced Science, EarlyView.
Osmium nanoparticles anchored on CoFe layered double hydroxide (Os/CoFe LDH) stabilize high‐valent Co/Fe species and modulate the interfacial water configuration via surface engineering. This work presents a facile surface engineering strategy for constructing efficient and durable OER electrocatalysts for alkaline seawater, and expands the ...
Xindong She, Guosheng Zhou, Kanghua Miao, Junjie Gong, Mingzhe Jiang, Xueting Zhu, Zhenzhen Wang, Shijie Shen, Wenwu Zhong   +8 more
wiley   +1 more source

Haplotype-resolved genome of Citrus × sinensis 'Pera IAC', the most widely cultivated sweet orange in Brazil. [PDF]

Sci Data
Alves MN, Calvez L, Santos MA, Trinca V, Oliveira MM, Ferro JA, Locali EC, Ollitrault P, Wulff NA, Varani AM.   +9 more
europepmc   +1 more source

Q‐LEAP: Millisecond Hyperdimensional Optimization for Full‐Spectrum Optical Metamaterials

Advanced Science, EarlyView.
Q‐LEAP integrates physics‐informed residual machine learning with factorization‐machine‐encoded quantum annealing to design full‐spectrum optical metamaterials. It explores a 2108 design space and, in a single 2.56 ms annealing step, reaches 85.83% of the theoretical FoM limit, enabling selective 5‐8 µm emission with 3–5 and 8–14 µm suppression and ∼40×
Zikang Guo, Yunwen Wu, Yuhui Guo, Shenghong Ju   +3 more
wiley   +1 more source

Towards routine accurate electron-density studies of biological macromolecules. [PDF]

Acta Crystallogr D Struct Biol
Paknia E, Flensburg C, Chodkiewicz ML, Fogh RH, Keller P, Vonrhein C, Schulze-Briese C, Dominiak PM, Bourenkov G, Bricogne G, Chari A.   +10 more
europepmc   +1 more source

Van der Waals Gap‐Confined Molecular Engineering of MoS2 for Selectivity‐Enhanced and Humidity‐Tolerant Gas Sensing

Advanced Science, EarlyView.
Molecular confinement within van der Waals gaps of MoS2 is established as a powerful design strategy for selective and stable chemical sensing. Ethanol‐confined films simultaneously tune electronic doping, surface wettability, and sulfur vacancy configurations, suppressing water interference while enhancing NO2 adsorption.
Jae Hyung Shim, Gwang Su Kim, Tae Hyung Lee, Jaeho Lee, Su‐Yeon Joung, Jung Hoon Kang, Jin Seok Kim, Jung‐Won An, Chong‐Yun Kang, Ho Won Jang, Jungwon Park, Ji‐Soo Jang, Chul‐Ho Lee   +12 more
wiley   +1 more source

Chromosome-level genome assembly of the horned turban snail Turbo cornutus. [PDF]

Sci Data
Li C, Chen B, Li Z, Lu B, Pan Y, Zhang J.   +5 more
europepmc   +1 more source