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Chemistry

Publication DateArticle TitleAuthor(s)
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
1-Jun-2021MgPd2Sb – the first Mg-based Heusler-type superconductorWiniarski, MJ; Kuderowicz, G; Górnicka, K; Litzbarski, LS; Stolecka, K; et al
27-May-2021Superconductivity in the Endohedral Ga Cluster Compound PdGa5Ryżyńska, Zuzanna; Wiśniewski, Piotr; Kaczorowski, Dariusz; Xie, Weiwei; Cava, Robert J; et al
20-May-2021Generalizing the Chiral Self-Assembly of Spheres and Tetrahedra to Non-Spherical and Polydisperse Molecules in (C70)𝑥(C60)1−𝑥(SnI4)2Straus, Daniel B; Cava, Robert J
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
21-Apr-2021Duality and domain wall dynamics in a twisted Kitaev chainMorris, CM; Desai, Nisheeta; Viirok, J; Hüvonen, D; Nagel, U; 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
1-Apr-2021Local Observations of Orbital Diamagnetism and Excitation in Three-Dimensional Dirac Fermion Systems Bi1−xSbxWatanabe, Yukihiro; Kumazaki, Masashi; Ezure, Hiroki; Sasagawa, Takao; Cava, Robert J; et al
31-Mar-2021Widely spaced planes of magnetic dimers in the Ba6⁢Y2⁢Rh2⁢Ti2⁢O17−𝛿 hexagonal perovskiteNguyen, Loi T; Straus, Daniel B; Zhang, Q; Cava, Robert J
30-Mar-2021Guest-protein incorporation into solvent channels of a protein host crystal (hostal)Sprenger, Janina; Carey, Jannette; Schulz, Alexander; Drouard, Fleur; Lawson, Catherine L; et al
23-Mar-2021Multi-hole bands and quasi–two-dimensionality in Cr2Ge2Te6 studied by angle-resolved photoemission spectroscopyYilmaz, T; Geilhufe, RM; Pletikosić, I; Fernando, GW; Cava, Robert J; et al
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
16-Mar-2021A Tutorial on Selectivity Determination in C(sp2)–H Oxidative Addition of Arenes by Transition Metal ComplexesPabst, Tyler P; Chirik, Paul J
10-Mar-2021Hexagonal Perovskites as Quantum MaterialsNguyen, Loi T; Cava, Robert J
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
14-Feb-2021The hydrogen-containing bronzes H0.23WO3 and H0.10ReO3 synthesized via a polymer routeJin, Lun; Zhang, Qiang; Cava, Robert J
28-Dec-2020Local electronic and magnetic properties of the doped topological insulators Bi2Se3:Ca and Bi2Te3:Mn investigated using ion-implanted 8Li 𝛽-NMRMcFadden, Ryan ML; Chatzichristos, Aris; Cortie, David L; Fujimoto, Derek; Hor, Yew San; et al
17-Dec-2020Titanium Niobium Oxide: From Discovery to Application in Fast-Charging Lithium-Ion BatteriesGriffith, Kent J; Harada, Yasuhiro; Egusa, Shun; Ribas, Rogério M; Monteiro, Robson S; et al