Fabricating genetically engineered high-power lithium-ion batteries using multiple virus genesIron and Manganese Pyrophosphates as Cathodes for Lithium-Ion BatteriesUltra-fast evaluation of protein energies directly from sequenceCharting the complete elastic properties of inorganic crystalline compounds.Synthesis, computed stability, and crystal structure of a new family of inorganic compounds: carbonophosphates.Predicting crystal structure by merging data mining with quantum mechanics.Data mined ionic substitutions for the discovery of new compounds.Battery materials for ultrafast charging and discharging.Nucleation of metastable aragonite CaCO3 in seawaterDesign and synthesis of the superionic conductor Na10SnP2S12.Identification and design principles of low hole effective mass p-type transparent conducting oxides.A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds.Evaluating structure selection in the hydrothermal growth of FeS2 pyrite and marcasite.The thermodynamic scale of inorganic crystalline metastability.Low intensity conduction states in FeS2: implications for absorption, open-circuit voltage and surface recombination.Unlocking the potential of cation-disordered oxides for rechargeable lithium batteries.Relating voltage and thermal safety in Li-ion battery cathodes: a high-throughput computational study.Particle size dependence of the ionic diffusivity.Structural study of the T#2-LixCoO2 (0.52 < x < or = 0.72) phase.Investigation of Potassium Storage in Layered P3-Type K0.5 MnO2 Cathode.Electronic spin transition in nanosize stoichiometric lithium cobalt oxide.Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures.An efficient algorithm for finding the minimum energy path for cation migration in ionic materials.Effect of particle size on hydrogen release from sodium alanate nanoparticles.An investigation of the sodium patterning in Na(x)CoO(2) (0.5 < or = x < or = 1) by density functional theory methods.Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models.Role of hybridization in NaxCoO2 and the effect of hydration.High-rate performance of a mixed olivine cathode with off-stoichiometric composition.Ab initio investigation of ammonia-borane complexes for hydrogen storage.A density functional theory study of hydrogen adsorption in MOF-5.Electrodes with high power and high capacity for rechargeable lithium batteries.Electronic-enthalpy functional for finite systems under pressure.First principles calculation of the interdiffusion coefficient in binary alloys.Role of electronic structure in the susceptibility of metastable transition-metal oxide structures to transformation.A first-order Mott transition in LixCoO2.Predicting crystal structures with data mining of quantum calculations.First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5.Coarse-graining protein energetics in sequence variables.Direct visualization of the Jahn-Teller effect coupled to Na ordering in Na5/8MnO2.New Light-Harvesting Materials Using Accurate and Efficient Bandgap Calculations
P50
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P50
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հետազոտող
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Gerbrand Ceder
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Gerbrand Ceder
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Gerbrand Ceder
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Gerbrand Ceder
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Gerbrand Ceder
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Gerbrand Ceder
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Gerbrand Ceder
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Gerbrand Ceder
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Gerbrand Ceder
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P166
P21
P31
P496
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