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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
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
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
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
24-Mar-2022A deep potential model with long-range electrostatic interactionsZhang, Linfeng; Wang, Han; Muniz, Maria Carolina; Panagiotopoulos, Athanassios Z; Car, Roberto; et al
13-Dec-2021Heat transport in liquid water from first-principles and deep neural network simulationsTisi, Davide; Zhang, Linfeng; Bertossa, Riccardo; Wang, Han; Car, Roberto; et al
27-Oct-2021Singular angular magnetoresistance and sharp resonant features in a high-mobility metal with open orbits, ReO3Quirk, Nicholas P; Nguyen, Loi T; Hu, Jiayi; Cava, RJ; Ong, NP
2-Sep-2021Localization precision in chromatic multifocal imagingAmin, M Junaid; Petry, Sabine; Shaevitz, Joshua W; Yang, Haw
14-Jul-2021Gap Sensitivity Reveals Universal Behaviors in Optimized Photonic Crystal and Disordered NetworksKlatt, Michael A; Steinhardt, Paul J; Torquato, Salvatore
17-Jun-2021Band Engineering of Dirac Semimetals Using Charge Density WavesLei, Shiming; Teicher, Samuel ML; Topp, Andreas; Cai, Kehan; Lin, Jingjing; et al
9-Jun-2021Phase Diagram of a Deep Potential Water ModelZhang, Linfeng; Wang, Han; Car, Roberto; E, Weinan
7-Jun-2021Manifestations of metastable criticality in the long-range structure of model water glassesGartner, Thomas E; Torquato, Salvatore; Car, Roberto; Debenedetti, Pablo G
29-Apr-2021Enhancing the formation of ionic defects to study the ice Ih/XI transition with molecular dynamics simulationsPiaggi, Pablo M; Car, Roberto
27-Apr-2021Promoting Neuronal Outgrowth Using Ridged Scaffolds Coated with Extracellular Matrix ProteinsSiddiqui, Ahad M; Brunner, Rosa; Harris, Gregory M; Miller, Alan Lee; Waletzki, Brian E; et al
9-Apr-2021Phase Equilibrium of Water with Hexagonal and Cubic Ice Using the SCAN FunctionalPiaggi, Pablo M; Panagiotopoulos, Athanassios Z; Debenedetti, Pablo G; Car, Roberto
19-Mar-2021New material platform for superconducting transmon qubits with coherence times exceeding 0.3 millisecondsPlace, Alexander PM; Rodgers, Lila VH; Mundada, Pranav; Smitham, Basil M; Fitzpatrick, Mattias; et al
22-Feb-2021Pushing the Limit of Molecular Dynamics with Ab Initio Accuracy to 100 Million Atoms with Machine LearningJia, Weile; Wang, Han; Chen, Mohan; Lu, Denghui; Lin, Lin; et al