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Accelerated discovery of CO2 electrocatalysts using active machine learning 期刊论文
NATURE, 2020, 581 (7807) : 178-+
作者:  Lan, Jun;  Ge, Jiwan;  Yu, Jinfang;  Shan, Sisi;  Zhou, Huan;  Fan, Shilong;  Zhang, Qi;  Shi, Xuanling;  Wang, Qisheng;  Zhang, Linqi;  Wang, Xinquan
收藏  |  浏览/下载:91/0  |  提交时间:2020/07/03

The rapid increase in global energy demand and the need to replace carbon dioxide (CO2)-emitting fossil fuels with renewable sources have driven interest in chemical storage of intermittent solar and wind energy(1,2). Particularly attractive is the electrochemical reduction of CO2 to chemical feedstocks, which uses both CO2 and renewable energy(3-8). Copper has been the predominant electrocatalyst for this reaction when aiming for more valuable multi-carbon products(9-16), and process improvements have been particularly notable when targeting ethylene. However, the energy efficiency and productivity (current density) achieved so far still fall below the values required to produce ethylene at cost-competitive prices. Here we describe Cu-Al electrocatalysts, identified using density functional theory calculations in combination with active machine learning, that efficiently reduce CO2 to ethylene with the highest Faradaic efficiency reported so far. This Faradaic efficiency of over 80 per cent (compared to about 66 per cent for pure Cu) is achieved at a current density of 400 milliamperes per square centimetre (at 1.5 volts versus a reversible hydrogen electrode) and a cathodic-side (half-cell) ethylene power conversion efficiency of 55 +/- 2 per cent at 150 milliamperes per square centimetre. We perform computational studies that suggest that the Cu-Al alloys provide multiple sites and surface orientations with near-optimal CO binding for both efficient and selective CO2 reduction(17). Furthermore, in situ X-ray absorption measurements reveal that Cu and Al enable a favourable Cu coordination environment that enhances C-C dimerization. These findings illustrate the value of computation and machine learning in guiding the experimental exploration of multi-metallic systems that go beyond the limitations of conventional single-metal electrocatalysts.


  
Universal quantum logic in hot silicon qubits 期刊论文
NATURE, 2020, 580 (7803) : 355-+
作者:  Li, Jia;  Yang, Xiangdong;  Liu, Yang;  Huang, Bolong;  Wu, Ruixia;  Zhang, Zhengwei;  Zhao, Bei;  Ma, Huifang;  Dang, Weiqi;  Wei, Zheng;  Wang, Kai;  Lin, Zhaoyang;  Yan, Xingxu;  Sun, Mingzi;  Li, Bo;  Pan, Xiaoqing;  Luo, Jun;  Zhang, Guangyu;  Liu, Yuan;  Huang, Yu;  Duan, Xidong;  Duan, Xiangfeng
收藏  |  浏览/下载:41/0  |  提交时间:2020/07/03

Quantum computation requires many qubits that can be coherently controlled and coupled to each other(1). Qubits that are defined using lithographic techniques have been suggested to enable the development of scalable quantum systems because they can be implemented using semiconductor fabrication technology(2-5). However, leading solid-state approaches function only at temperatures below 100 millikelvin, where cooling power is extremely limited, and this severely affects the prospects of practical quantum computation. Recent studies of electron spins in silicon have made progress towards a platform that can be operated at higher temperatures by demonstrating long spin lifetimes(6), gate-based spin readout(7) and coherent single-spin control(8). However, a high-temperature two-qubit logic gate has not yet been demonstrated. Here we show that silicon quantum dots can have sufficient thermal robustness to enable the execution of a universal gate set at temperatures greater than one kelvin. We obtain single-qubit control via electron spin resonance and readout using Pauli spin blockade. In addition, we show individual coherent control of two qubits and measure single-qubit fidelities of up to 99.3 per cent. We demonstrate the tunability of the exchange interaction between the two spins from 0.5 to 18 megahertz and use it to execute coherent two-qubit controlled rotations. The demonstration of '  hot'  and universal quantum logic in a semiconductor platform paves the way for quantum integrated circuits that host both the quantum hardware and its control circuitry on the same chip, providing a scalable approach towards practical quantum information processing.


  
Submicrosecond entangling gate between trapped ions via Rydberg interaction 期刊论文
NATURE, 2020, 580 (7803) : 345-+
作者:  Chatterjee, Sourav;  Guidi, Mara;  Seeberger, Peter H.;  Gilmore, Kerry
收藏  |  浏览/下载:17/0  |  提交时间:2020/07/03

Generating quantum entanglement in large systems on timescales much shorter than the coherence time is key to powerful quantum simulation and computation. Trapped ions are among the most accurately controlled and best isolated quantum systems(1) with low-error entanglement gates operated within tens of microseconds using the vibrational motion of few-ion crystals(2,3). To exceed the level of complexity tractable by classical computers the main challenge is to realize fast entanglement operations in crystals made up of many ions (large ion crystals)(4). The strong dipole-dipole interactions in polar molecule(5) and Rydberg atom(6,7) systems allow much faster entangling gates, yet stable state-independent confinement comparable with trapped ions needs to be demonstrated in these systems(8). Here we combine the benefits of these approaches: we report a two-ion entangling gate with 700-nanosecond gate time that uses the strong dipolar interaction between trapped Rydberg ions, which we use to produce a Bell state with 78 per cent fidelity. The sources of gate error are identified and a total error of less than 0.2 per cent is predicted for experimentally achievable parameters. Furthermore, we predict that residual coupling to motional modes contributes an approximate gate error of 10(-4) in a large ion crystal of 100 ions. This provides a way to speed up and scale up trapped-ion quantum computers and simulators substantially.


  
Classification with a disordered dopantatom network in silicon 期刊论文
NATURE, 2020, 577 (7790) : 341-+
作者:  Vagnozzi, Ronald J.;  Maillet, Marjorie;  Sargent, Michelle A.;  Khalil, Hadi;  Johansen, Anne Katrine Z.;  Schwanekamp, Jennifer A.;  York, Allen J.;  Huang, Vincent;  Nahrendorf, Matthias;  Sadayappan, Sakthivel;  Molkentin, Jeffery D.
收藏  |  浏览/下载:24/0  |  提交时间:2020/07/03

Classification is an important task at which both biological and artificial neural networks excel(1,2). In machine learning, nonlinear projection into a high-dimensional feature space can make data linearly separable(3,4), simplifying the classification of complex features. Such nonlinear projections are computationally expensive in conventional computers. A promising approach is to exploit physical materials systems that perform this nonlinear projection intrinsically, because of their high computational density(5), inherent parallelism and energy efficiency(6,7). However, existing approaches either rely on the systems'  time dynamics, which requires sequential data processing and therefore hinders parallel computation(5,6,8), or employ large materials systems that are difficult to scale up(7). Here we use a parallel, nanoscale approach inspired by filters in the brain(1) and artificial neural networks(2) to perform nonlinear classification and feature extraction. We exploit the nonlinearity of hopping conduction(9-11) through an electrically tunable network of boron dopant atoms in silicon, reconfiguring the network through artificial evolution to realize different computational functions. We first solve the canonical two-input binary classification problem, realizing all Boolean logic gates(12) up to room temperature, demonstrating nonlinear classification with the nanomaterial system. We then evolve our dopant network to realize feature filters(2) that can perform four-input binary classification on the Modified National Institute of Standards and Technology handwritten digit database. Implementation of our material-based filters substantially improves the classification accuracy over that of a linear classifier directly applied to the original data(13). Our results establish a paradigm of silicon-based electronics for smallfootprint and energy-efficient computation(14).


  
Dualities and non-Abelian mechanics 期刊论文
NATURE, 2020, 577 (7792) : 636-+
作者:  Song, Xinyang;  Sun, Ximei;  Oh, Sungwhan F.;  Wu, Meng;  Zhang, Yanbo;  Zheng, Wen;  Geva-Zatorsky, Naama;  Jupp, Ray;  Mathis, Diane;  Benoist, Christophe;  Kasper, Dennis L.
收藏  |  浏览/下载:13/0  |  提交时间:2020/07/03

Dualities-mathematical mappings between different systems-can act as hidden symmetries that enable materials design beyond that suggested by crystallographic space groups.


Dualities are mathematical mappings that reveal links between apparently unrelated systems in virtually every branch of physics(1-8). Systems mapped onto themselves by a duality transformation are called self-dual and exhibit remarkable properties, as exemplified by the scale invariance of an Ising magnet at the critical point. Here we show how dualities can enhance the symmetries of a dynamical matrix (or Hamiltonian), enabling the design of metamaterials with emergent properties that escape a standard group theory analysis. As an illustration, we consider twisted kagome lattices(9-15), reconfigurable mechanical structures that change shape by means of a collapse mechanism(9). We observe that pairs of distinct configurations along the mechanism exhibit the same vibrational spectrum and related elastic moduli. We show that these puzzling properties arise from a duality between pairs of configurations on either side of a mechanical critical point. The critical point corresponds to a self-dual structure with isotropic elasticity even in the absence of spatial symmetries and a twofold-degenerate spectrum over the entire Brillouin zone. The spectral degeneracy originates from a version of Kramers'  theorem(16,17) in which fermionic time-reversal invariance is replaced by a hidden symmetry emerging at the self-dual point. The normal modes of the self-dual systems exhibit non-Abelian geometric phases(18,19) that affect the semiclassical propagation of wavepackets(20), leading to non-commuting mechanical responses. Our results hold promise for holonomic computation(21) and mechanical spintronics by allowing on-the-fly manipulation of synthetic spins carried by phonons.


  
Fast two-qubit logic with holes in germanium 期刊论文
NATURE, 2020, 577 (7791) : 487-+
作者:  Halpin-Healy, Tyler S.;  Klompe, Sanne E.;  Sternberg, Samuel H.;  Fernandez, Israel S.
收藏  |  浏览/下载:28/0  |  提交时间:2020/07/03

Universal quantum information processing requires the execution of single-qubit and two-qubit logic. Across all qubit realizations(1), spin qubits in quantum dots have great promise to become the central building block for quantum computation(2). Excellent quantum dot control can be achieved in gallium arsenide(3-5), and high-fidelity qubit rotations and two-qubit logic have been demonstrated in silicon(6-9), but universal quantum logic implemented with local control has yet to be demonstrated. Here we make this step by combining all of these desirable aspects using hole quantum dots in germanium. Good control over tunnel coupling and detuning is obtained by exploiting quantum wells with very low disorder, enabling operation at the charge symmetry point for increased qubit performance. Spin-orbit coupling obviates the need for microscopic elements close to each qubit and enables rapid qubit control with driving frequencies exceeding 100 MHz. We demonstrate a fast universal quantum gate set composed of single-qubit gates with a fidelity of 99.3 per cent and a gate time of 20 nanoseconds, and two-qubit logic operations executed within 75 nanoseconds. Planar germanium has thus matured within a year from a material that can host quantum dots to a platform enabling two-qubit logic, positioning itself as an excellent material for use in quantum information applications.


Spin qubits based on hole states in strained germanium could offer the most scalable platform for quantum computation.


  
A consistent statistical model selection for abrupt glacial climate changes 期刊论文
CLIMATE DYNAMICS, 2019, 52 (11) : 6411-6426
作者:  Lohmann, Johannes;  Ditlevsen, Peter D.
收藏  |  浏览/下载:7/0  |  提交时间:2019/11/26
Dansgaard-Oeschger events  Statistical model comparison  Approximate Bayesian computation  Abrupt climate change  Millennial-scale climate variability  
Signature-Domain Calibration of Hydrological Models Using Approximate Bayesian Computation: Theory and Comparison to Existing Applications 期刊论文
WATER RESOURCES RESEARCH, 2018, 54 (6) : 4059-4083
作者:  Kavetski, Dmitri;  Fenicia, Fabrizio;  Reichert, Peter;  Albert, Carlo
收藏  |  浏览/下载:4/0  |  提交时间:2019/04/09
hydrological model calibration  data signature  uncertainty  Bayesian inference  Approximate Bayesian Computation (ABC)  GLUE  
Signature-Domain Calibration of Hydrological Models Using Approximate Bayesian Computation: Empirical Analysis of Fundamental Properties 期刊论文
WATER RESOURCES RESEARCH, 2018, 54 (6) : 3958-3987
作者:  Fenicia, Fabrizio;  Kavetski, Dmitri;  Reichert, Peter;  Albert, Carlo
收藏  |  浏览/下载:15/0  |  提交时间:2019/04/09
data signature  Bayesian model calibration  uncertainty  approximate Bayesian computation (ABC)  flow duration curve  flashiness index  
Wood and Biofiber International Conference (WOBIC2017) 会议
Bangi, Malaysia, 会议类型: Conference;Exhibition;Workshop, 2017