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Chemistry

Publication DateArticle TitleAuthor(s)
Sep-2022Gut bacterial nutrient preferences quantified in vivoZeng, Xianfeng; Xing, Xi; Gupta, Meera; Keber, Felix C; Lopez, Jaime G; et al
30-Aug-2022Influence of Orbital Character on the Ground State Electronic Properties in the van Der Waals Transition Metal Iodides VI3 and CrI3De Vita, Alessandro; Nguyen, Thao Thi Phuong; Sant, Roberto; Pierantozzi, Gian Marco; Amoroso, Danila; et al
27-Aug-2022Elastic properties of a Sc–Zr–Nb–Ta–Rh–Pd high-entropy alloy superconductorPan, Yupeng; He, Xiaobo; Zhou, Binjie; Strong, Denver; Zhang, Jian; et al
22-Aug-2022Catalogue of flat-band stoichiometric materialsRegnault, Nicolas; Xu, Yuanfeng; Li, Ming-Rui; Ma, Da-Shuai; Jovanovic, Milena; et al
11-Aug-2022Homogeneous ice nucleation in an ab initio machine-learning model of waterPiaggi, Pablo M; Weis, Jack; Panagiotopoulos, Athanassios Z; Debenedetti, Pablo G; Car, Roberto
4-Aug-2022Phase diagram of the TIP4P/Ice water model by enhanced sampling simulationsBore, Sigbjørn L; Piaggi, Pablo M; Car, Roberto; Paesani, Francesco
15-Jul-2022Metal-Insulator Transition and Anomalous Lattice Parameters Changes in Ru-doped VO2Gui, Xin; Cava, Robert J
8-Jul-2022Phase tuning of multiple Andreev reflections of Dirac fermions and the Josephson supercurrent in Al–MoTe 2 –Al junctionsZhu, Zheyi; Kim, Stephan; Lei, Shiming; Schoop, Leslie M; Cava, RJ; et al
1-Jul-2022Viscosity in water from first-principles and deep-neural-network simulationsMalosso, Cesare; Zhang, Linfeng; Car, Roberto; Baroni, Stefano; Tisi, Davide
27-Jun-2022Structure and properties of the Sr2In1-Sn SbO6 double perovskiteJin, Lun; Ni, Danrui; Gui, Xin; Kong, Tai; Moseley, Duncan H; et al
31-May-2022Hydrostatic pressure effect on Co-based honeycomb magnet BaCo2(AsO4)2Huyan, Shuyuan; Schmidt, Juan; Gati, Elena; Zhong, Ruidan; Cava, Robert J; et al
17-May-2022The non-centrosymmetric layered compounds IrTe2I and RhTe2INi, Danrui; Gui, Xin; Han, Bingzheng; Wang, Haozhe; Xie, Weiwei; et al
13-May-2022Many-body effects in the X-ray absorption spectra of liquid waterTang, Fujie; Li, Zhenglu; Zhang, Chunyi; Louie, Steven G; Car, Roberto; et al
9-May-2022Observation of three superconducting transitions in the pressurized CDW-bearing compound TaTe2Guo, Jing; Huang, Cheng; Luo, Huixia; Yang, Huaixin; Wei, Linlin; et al
4-May-2022One-dimensional Luttinger liquids in a two-dimensional moiré latticeWang, Pengjie; Yu, Guo; Kwan, Yves H; Jia, Yanyu; Lei, Shiming; et al
24-Mar-2022A deep potential model with long-range electrostatic interactionsZhang, Linfeng; Wang, Han; Muniz, Maria Carolina; Panagiotopoulos, Athanassios Z; Car, Roberto; et al
9-Mar-2022LaIr3Ga2: A Superconductor Based on a Kagome Lattice of IrGui, Xin; Cava, Robert J
26-Jan-2022Magnetic cations doped into a double perovskite semiconductorJin, Lun; Ni, Danrui; Gui, Xin; Straus, Daniel B; Zhang, Qiang; et al
22-Jan-2022Ferromagnetic Double Perovskite Semiconductors with Tunable PropertiesJin, Lun; Ni, Danrui; Gui, Xin; Straus, Daniel B; Zhang, Qiang; et al
5-Jan-2022Affinity, Specificity, and Cooperativity of DNA Binding by Bacterial Gene Regulatory ProteinsCarey, Jannette