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您的检索式：作者名="Alexander Grabowski"
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| 1 | Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc Fe显示文摘We present the magnetic Moment Tensor Potentials(mMTPs),a class of machine-learning interatomic potentials,accurately reproducing both vibrational and magnetic degrees of freedom as provided,e.g.,from first-principles calculations.The accuracy is achieved by a two-step minimization scheme that coarse-grains the atomic and the spin space.The performance of the mMTPs is demonstrated for the prototype magnetic system bcc iron,with applications to phonon calculations for different magnetic states,and molecular-dynamics simulations with fluctuating magnetic moments. | Ivan Novikov Blazej Grabowski Fritz Körmann Alexander Shapeev | 2022 | npj Computational Materials2022，，1： | 4 |
| 2 | Ab initio vibrational free energies including anharmonicity for multicomponent alloys显示文摘The unique and unanticipated properties of multiple principal component alloys have reinvigorated the field of alloy design and drawn strong interest across scientific disciplines.The vast compositional parameter space makes these alloys a unique area of exploration by means of computational design.However,as of now a method to compute efficiently,yet with high accuracy the thermodynamic properties of such alloys has been missing.One of the underlying reasons is the lack of accurate and efficient approaches to compute vibrational free energies—including anharmonicity—for these chemically complex multicomponent alloys.In this work,a density-functional-theory based approach to overcome this issue is developed based on a combination of thermodynamic integration and a machine-learning potential.We demonstrate the performance of the approach by computing the anharmonic free energy of the prototypical five-component VNbMoTaW refractory high entropy alloy. | Blazej Grabowski Yuji Ikeda Prashanth Srinivasan Fritz Körmann Christoph Freysoldt Andrew Ian Duff Alexander Shapeev Jörg Neugebauer | 2019 | npj Computational Materials2019，，1： | 1 |
| 3 | Current activities of the Yersinia effector protein YopM显示文摘 | Sabrina H?fling Benjamin Grabowski Stefanie Norkowski M. Alexander Schmidt Christian Rüter | 2015 | International Journal of Medical Microbiology2015，，： | 1 |
| 4 | High-angle deflection of metagrating-integrated laser emission for high-contrast microscopy显示文摘Flat metaoptics components are looking to replace classical optics elements and could lead to extremely compact biophotonics devices if integrated with on-chip light sources and detectors.However,using metasurfaces to shape light into wide angular range wavefronts with high efficiency,as is typically required in high-contrast microscopy applications,remains a challenge.Here we demonstrate curved GaAs metagratings integrated on vertical-cavity surface-emitting lasers(VCSELs)that enable on-chip illumination in total internal reflection and dark field microscopy.Based on an unconventional design that circumvents the aspect ratio dependent etching problems in monolithic integration,we demonstrate off-axis emission centred at 60°in air and 63°in glass with>90%and>70%relative deflection efficiency,respectively.The resulting laser beam is collimated out-of-plane but maintains Gaussian divergence in-plane,resulting in a long and narrow illumination area.We show that metagrating-integrated VCSELs of different kinds can be combined to enable rapid switching between dark-field and total internal reflection illumination.Our approach provides a versatile illumination solution for high-contrast imaging that is compatible with conventional microscopy setups and can be integrated with biophotonics devices,such as portable microscopy,NIR-II range bioimaging,and lab-on-a-chip devices. | Mindaugas Juodėnas Erik Strandberg Alexander Grabowski Johan Gustavsson HanaŠípová-Jungová Anders Larsson Mikael Käll | 2023 | Light(Science & Applications)2023，12，11： | 0 |
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