Results 81 to 90 of about 926,631 (217)

Adsorption and Separation by Flexible MOFs

Advanced Materials, EarlyView.
Flexible metal–organic frameworks (MOFs) present significant potential for gas storage and separation due to their structural dynamic. This review explores the rationale behind the flexible MOFs' enhanced working capacity and separation factors. It also addresses key challenges, including phase transition kinetics, crystal robustness, cycling, shaping,
Irena Senkovska, Volodymyr Bon, Antonia Mosberger, Yutong Wang, Stefan Kaskel   +4 more
wiley   +1 more source

Quantum dynamical Hamiltonian Monte Carlo

Physical Review Research
One of the open challenges in quantum computing is to find meaningful and practical methods to leverage quantum computation to accelerate classical machine-learning workflows. A ubiquitous problem in machine-learning workflows is sampling from probability distributions that we only have access to via their log probability.
Owen Lockwood, Peter Weiss, Filip Aronshtein, Guillaume Verdon   +3 more
openaire   +3 more sources

Fast quantum Monte Carlo on a GPU [PDF]

Computer Physics Communications, 2015
We present a scheme for the parallelization of quantum Monte Carlo on graphical processing units, focusing on bosonic systems and variational Monte Carlo. We use asynchronous execution schemes with shared memory persistence, and obtain an excellent acceleration. Comparing with single core execution, GPU-accelerated code runs over x100 faster.
openaire   +2 more sources

Theory of finite size effects for electronic quantum Monte Carlo calculations of liquids and solids [PDF]

, 2016
Concentrating on zero temperature quantum Monte Carlo calculations of electronic systems, we give a general description of the theory of finite size extrapolations of energies to the thermodynamic limit based on one- and two-body correlation functions ...
M. Holzmann, R. Clay, M. Morales, N. Tubman, D. Ceperley, C. Pierleoni   +5 more
semanticscholar   +1 more source

Advances in Photonic Materials and Integrated Devices for Smart and Digital Healthcare: Bridging the Gap Between Materials and Systems

Advanced Materials, EarlyView.
This article summarizes significant technological advancements in materials, photonic devices, and bio‐interfaced systems, which demonstrate successful applications for impacting human healthcare via improved therapies, advanced diagnostics, and on‐skin health monitoring.
Seunghyeb Ban, Hoon Yi, Jaejin Park, Yunuo Huang, Ki Jun Yu, Woon‐Hong Yeo   +5 more
wiley   +1 more source

Quantum Algorithm for Exact Monte Carlo Sampling [PDF]

Physical Review Letters, 2010
We build a quantum algorithm which uses the Grover quantum search procedure in order to sample the exact equilibrium distribution of a wide range of classical statistical mechanics systems. The algorithm is based on recently developed exact Monte Carlo sampling methods, and yields a polynomial gain compared to classical procedures.
Nicolas Destainville, Nicolas Destainville, Olivier Giraud, Olivier Giraud, Olivier Giraud, Bertrand Georgeot, Bertrand Georgeot   +6 more
openaire   +5 more sources

Quantum Monte Carlo calculations of light nuclei with local chiral two- and three-nucleon interactions [PDF]

, 2017
Local chiral effective field theory interactions have recently been developed and used in the context of quantum Monte Carlo few- and many-body methods for nuclear physics.
J. Lynn, I. Tews, J. Carlson, S. Gandolfi, A. Gezerlis, K. Schmidt, A. Schwenk   +6 more
semanticscholar   +1 more source

Molecular Domino Toppling for Directed Self‐Erasing Information Transfer

Advanced Materials, EarlyView.
An azobenzene‐based material with unprecedented light‐pumped directional charge‐transfer reminiscent of toppling dominoes is presented. After light‐induced trans→cis forward isomerization, electron hopping occurs in a sequential and propagating manner between the cis isomers along with an electrocatalytic cis→trans backward isomerization.
Ying Li, Abhinav Chandresh, Hung‐Hsuan Lin, Nina Vankova, Dragos Mutruc, Thomas Heine, Stefan Hecht, Lars Heinke   +7 more
wiley   +1 more source

Krylov-Projected Quantum Monte Carlo Method [PDF]

Physical Review Letters, 2015
We present an approach to the calculation of arbitrary spectral, thermal, and excited state properties within the full configuration interaction quzantum Monte Carlo framework. This is achieved via an unbiased projection of the Hamiltonian eigenvalue problem into a space of stochastically sampled Krylov vectors, thus, enabling the calculation of real ...
Blunt, Nicholas, Alavi, Ali, Booth, George   +2 more
openaire   +5 more sources

Benchmark study of the two-dimensional Hubbard model with auxiliary-field quantum Monte Carlo method [PDF]

, 2016
Ground state properties of the Hubbard model on a two-dimensional square lattice are studied by the auxiliary-field quantum Monte Carlo method. Accurate results for energy, double occupancy, effective hopping, magnetization, and momentum distribution are
M. Qin, Hao Shi, Shiwei Zhang
semanticscholar   +1 more source