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A New Quantum Approach To Solve Electronic Structures Of Complex Materials

Researchers at Argonne explore the possibility of solving the electronic structures of complex molecules using a quantum computer. ....

Marco Govoni , Benchen Huang , Giulia Galli , Midwest Integrated Center , National Quantum Information Science Research Center , Argonne National Laboratory , Galli Group , Uchicago Consortium For Advanced Science , Office Of Basic Energy Sciences , Us Department Of Energy , Department Of Chemistry , Pritzker School , Molecular Engineering , Chemical Theory , Quantum Information Science Research Center , Computational Materials , Advanced Science , Basic Energy , Argonne National ,

A New Quantitative Approach To Solving The Electronic Structures Of Complex Materials

If you know the atoms that make up a given molecule or solid, the interactions between those atoms can be determined mathematically, by solving quantum ....

Benchen Huang , Julia Galli , Marco Giovanni , Giulia Galli , National Quantum Information Science Research Center , Midwest Integrated Center , Galli Group , Us Department Of Energy , University Of Chicago Department Chemistry , Pritzker School Of Molecular Engineering , Uchicago Consortium For Advanced Science , Argonne National Laboratory , Argonne National , Pritzker School , Molecular Engineering , Chemical Theory , Quantum Information Science Research Center , Computational Materials , Advanced Science , Quantitative Simulations , Fermion Hamiltonians , Effective Encoder , Ansatz Diagrams , New Quantum Approach , Solve Electronic Structures , Complex Materials ,

Amorphous carbon may be useful for solar energy conversion

Amorphous carbon may be useful for solar energy conversion
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Arpan Kundu , Giulia Galli , Proceedings Of The National Academy Sciences , Galli Group , University Of Chicago , National Academy ,

New Framework to Understand Amorphous Carbon

Precious diamonds can be created when carbon atoms arrange themselves into a flawlessly repeating three-dimensional crystal. Carbon can also be arranged in flat sheets that are repeated to create the gleaming grey graphite that is used to produce pencils. ....

Arpan Kundu , Giulia Galli , Alex Smith , Proceedings Of The National Academy Sciences , Galli Group , Postdoctoral Research Scholar , University Of Chicago , Argonne National Laboratory , Pritzker School Of Molecular Engineering , Devise New Framework , Understand Amorphous , Pritzker School , Molecular Engineering , National Academy , Liew Family Professor , Argonne National , Study First Author ,

Tuning Electrode Surfaces to Optimize Solar Fuel Production

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Tuning Electrode Surfaces to Optimize Solar Fuel Production
An electrode material with modified surface atoms generates more electrical current, which drives the sunlight-powered reactions that split water into oxygen and hydrogen a clean fuel
February 18, 2021
Through a tight coupling of experiment and theory, scientists showed at the atomic level how changes in the surface composition of a photoelectrode play a critical role in photoelectrochemical performance.
UPTON, NY Scientists have demonstrated that modifying the topmost layer of atoms on the surface of electrodes can have a remarkable impact on the activity of solar water splitting. As they reported in
Nature Energy on Feb. 18, bismuth vanadate electrodes with more bismuth on the surface (relative to vanadium) generate higher amounts of electrical current when they absorb energy from sunlight. This photocurrent drives the chemical reactions that split water into oxygen and hydrogen. The hydr ....

United States , Mingzhao Liu , Giulia Galli , Kyoung Shin Choi , Chenyu Zhou , Wennie Wang , Dongho Lee , Catalysis Group Of The Center , Galli Group , Nature Energy On Feb , National Science Foundation , Us Department Of Energy , University Of Wisconsin , Stony Brook University , Catalysis Group , Choi Group , Office Of Science , University Of Chicago , Argonne National Laboratory , University Of Chicago Research Computing Center , Brookhaven National Laboratory , Tuning Electrode Surfaces , Optimize Solar Fuel , Nature Energy , Interface Science , Functional Nanomaterials ,