Results 201 to 210 of about 162,594 (235)
A novel FeTiZn ternary oxide nanocomposite for spontaneous and efficient adsorptive removal of hexavalent chromium from polluted water. [PDF]
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Oxide Spintronics as a Knot of Physics and Chemistry: Recent Progress and Opportunities.
Journal of Physical Chemistry Letters, 2022Transition-metal oxides (TMOs) constitute a key material family in spintronics because of mutually coupled degrees of freedom and tunable magneto-ionic properties.
Qian Wang +4 more
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Nature Nanotechnology, 2021
For the past three decades nanoscience has widely affected many areas in physics, chemistry and engineering, and has led to numerous fundamental discoveries, as well as applications and products. Concurrently, quantum science and technology has developed
Andreas J. Heinrich +9 more
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For the past three decades nanoscience has widely affected many areas in physics, chemistry and engineering, and has led to numerous fundamental discoveries, as well as applications and products. Concurrently, quantum science and technology has developed
Andreas J. Heinrich +9 more
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Chaos, 2023
A valuable step in the modeling of multiscale dynamical systems in fields such as computational chemistry, biology, and materials science is the representative sampling of the phase space over long time scales of interest; this task is not, however ...
Ellis R. Crabtree +2 more
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A valuable step in the modeling of multiscale dynamical systems in fields such as computational chemistry, biology, and materials science is the representative sampling of the phase space over long time scales of interest; this task is not, however ...
Ellis R. Crabtree +2 more
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The European Physical Journal Special Topics
Magnetism and spin physics are true quantum mechanical effects and their description usually requires multi reference methods and is often hidden in the standard description of molecules in quantum chemistry. In this work we present a twofold approach to
B. Schoenauer +6 more
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Magnetism and spin physics are true quantum mechanical effects and their description usually requires multi reference methods and is often hidden in the standard description of molecules in quantum chemistry. In this work we present a twofold approach to
B. Schoenauer +6 more
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Coherently forming a single molecule in an optical trap
Science, 2020Non-Feshbach ultracold molecules The formation of ultracold molecules has already had a profound impact on many research areas of physics. However, conventional methods of producing such molecules are attainable only for a limited number of systems or ...
Xiaodong He +11 more
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Ground and excited state gradients with end-to-end differentiable semiempirical quantum chemistry.
Journal of Chemical PhysicsAccurate and efficient gradients of molecular energy with respect to nuclear degrees of freedom are essential for geometry optimization and molecular dynamics, including simulations that go beyond the Born-Oppenheimer regime.
V. Athavale +5 more
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Spin vs. position conjugation in quantum simulations with atoms: Application to quantum chemistry
Physical Review AThe permutation symmetry is a fundamental attribute of the collective wavefunction of indistinguishable particles. It makes a difference for the behavior of collective systems having different quantum statistics but existing in the same environment. Here
N. A. Moroz +15 more
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