Results 11 to 20 of about 162,594 (235)

Quantum Algorithms for Quantum Chemistry and Quantum Materials Science. [PDF]

Chemical Reviews, 2020
As we begin to reach the limits of classical computing, quantum computing has emerged as a technology that has captured the imagination of the scientific world.
B. Bauer, S. Bravyi, M. Motta, Garnet Kin-Lic Chan   +3 more
semanticscholar   +1 more source

I21: an advanced high-resolution resonant inelastic X-ray scattering beamline at Diamond Light Source

Journal of Synchrotron Radiation, 2022
The I21 beamline at Diamond Light Source is dedicated to advanced resonant inelastic X-ray scattering (RIXS) for probing charge, orbital, spin and lattice excitations in materials across condensed matter physics, applied sciences and chemistry.
Ke-Jin Zhou, Andrew Walters, Mirian Garcia-Fernandez, Thomas Rice, Matthew Hand, Abhishek Nag, Jiemin Li, Stefano Agrestini, Peter Garland, Hongchang Wang, Simon Alcock, Ioana Nistea, Brian Nutter, Nicholas Rubies, Giles Knap, Martin Gaughran, Fajin Yuan, Peter Chang, John Emmins, George Howell   +19 more
doaj   +1 more source

Finding normally hyperbolic invariant manifolds in two and three degrees of freedom with Hénon-Heiles-type potential. [PDF]

Physical Review E, 2019
We present a method based on a Lagrangian descriptor for revealing the high-dimensional phase space structures that are of interest in nonlinear Hamiltonian systems with index-1 saddle. These phase space structures include a normally hyperbolic invariant
Shibabrat Naik, S. Wiggins
semanticscholar   +1 more source

Dynamical mean-field theory for the Hubbard-Holstein model on a quantum device [PDF]

Physical review B, 2023
Recent developments in quantum hardware and quantum algorithms have made it possible to utilize the capabilities of current noisy intermediate-scale quantum devices for addressing problems in quantum chemistry and condensed matter physics. Here we report
S. Backes, Y. Murakami, S. Sakai, R. Arita   +3 more
semanticscholar   +1 more source

Ab Initio Simulations of Water/Metal Interfaces.

Chemical Reviews, 2022
Structures and processes at water/metal interfaces play an important technological role in electrochemical energy conversion and storage, photoconversion, sensors, and corrosion, just to name a few. However, they are also of fundamental significance as a
A. Gross, S. Sakong
semanticscholar   +1 more source

Efficient rotational cooling of a cold beam of barium monofluoride

New Journal of Physics, 2022
The ability to cool and trap a large number of molecules is currently a crucial challenge for the implementation of various applications in fundamental physics and cold chemistry.
T Courageux, A Cournol, D Comparat, B Viaris de Lesegno, H Lignier   +4 more
doaj   +1 more source

A Comprehensive Review of High-Pressure Laser-Induced Materials Processing, Part III: Laser Reactive Synthesis within Diamond Anvil Cells

Journal of Manufacturing and Materials Processing, 2023
The synthesis of advanced materials at high pressures has been an area of growing research interest for several decades. This article is the third in a three-part series that reviews Laser Materials Processing Within Diamond Anvil Cells (L-DACs).
Mohamad E. Alabdulkarim, Wendy D. Maxwell, Vibhor Thapliyal, James L. Maxwell   +3 more
doaj   +1 more source

Mapping Atomic Motions with Electrons: Toward the Quantum Limit to Imaging Chemistry [PDF]

, 2020
Recent advances in ultrafast electron and X-ray diffraction have pushed imaging of structural dynamics into the femtosecond time domain, that is, the fundamental time scale of atomic motion.
Atkins P. W., Born M., Goodhew P. J., Leonhardt U., McQuarrie D. A., Miller R. J. D., Natterer F., Pauli W., Shih Y., Yang J.   +9 more
core   +2 more sources

Reweighted Manifold Learning of Collective Variables from Enhanced Sampling Simulations [PDF]

Journal of Chemical Theory and Computation, 2022
Enhanced sampling methods are indispensable in computational chemistry and physics, where atomistic simulations cannot exhaustively sample the high-dimensional configuration space of dynamical systems due to the sampling problem. A class of such enhanced
J. Rydzewski, Ming Chen, Tushar K. Ghosh, O. Valsson   +3 more
semanticscholar   +1 more source

Cold molecules: Progress in quantum engineering of chemistry and quantum matter [PDF]

Science, 2017
Cooling atoms to ultralow temperatures has produced a wealth of opportunities in fundamental physics, precision metrology, and quantum science. The more recent application of sophisticated cooling techniques to molecules, which has been more challenging ...
J. Bohn, A. Rey, Jun Ye
semanticscholar   +1 more source