Efficient Langevin and Monte Carlo sampling algorithms: The case of field-theoretic simulations

Autor: Bart Vorselaars

Publikováno v: The Journal of Chemical Physics. 158:114117

We introduce Langevin sampling algorithms to field-theoretic simulations (FTSs) of polymers that, for the same accuracy, are ∼10× more efficient than a previously used Brownian dynamics algorithm that used predictor corrector for such simulations,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4cbd43c524f4a8de3489c68cebc59064
https://doi.org/10.1063/5.0131183

The Production and Evaluation of an Electrochemical Sensors for Strychnine and Its Main Metabolite Strychnine N-Oxide for Their Use in Biological Samples

Autor: Bakhtiyar Qader, Issam Hussain, Mark Baron, Rafael Estevez-Brito, John Paul Cassella, Jose Gonzalez-Rodriguez

Publikováno v: Molecules; Volume 27; Issue 6; Pages: 1826

Strychnine (STN) and its major metabolite Strychnine N-Oxide (SNO) were examined electrochemically. Both parent compounds and its major metabolite showed electroactivity on glassy carbon electrodes using CV and DPV techniques. One oxidation peak at 1

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9515ba31b38795e2654b3c9f4759f640

The ice-nucleating ability of quartz immersed in water and its atmospheric importance compared to K-feldspar

Autor: A. D. Harrison, K. Lever, A. Sanchez-Marroquin, M. A. Holden, T. F. Whale, M. D. Tarn, J. B. McQuaid, B. J. Murray

Publikováno v: Atmospheric Chemistry and Physics
Atmospheric Chemistry and Physics, Vol 19, Pp 11343-11361 (2019)

Mineral dust particles are thought to be an important type of ice-nucleating particle (INP) in the mixed-phase cloud regime around the globe. While K-rich feldspar (K-feldspar) has been identified as being a particularly important component of minera

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea48a22fd101ad9a72e988819357ee92
https://doi.org/10.5194/acp-19-11343-2019

Direct Imaging and Location of Pb2+ and K+ in EMT Framework-Type Zeolite

Autor: Jennifer Elizabeth Readman, Daniel Smith, Yaping Zhang, Alvaro Mayoral

Publikováno v: Zaguán. Repositorio Digital de la Universidad de Zaragoza
instname
Digital.CSIC. Repositorio Institucional del CSIC
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces

The understanding of the structural framework and metal locations within zeolites are two critical aspects to tune and further exploit their properties as heterogeneous catalysts, advanced optical devices, or as water remediation materials. The devel

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e53b5477018ec8173c447df5184b72dd
http://zaguan.unizar.es/record/111647

A major combustion aerosol event had a negligible impact on the atmospheric ice‐nucleating particle population

Autor: Jung-uk Shim, James B. McQuaid, Alexander D. Harrison, Mark D. Tarn, Michael P. Adams, Sebastien N. F. Sikora, Ian T. Burke, Martin I. Daily, Mark A. Holden, Federico Carotenuto, Jesus Vergara-Temprado, Benjamin J. Murray, Daniel O'Sullivan, Thomas F. Whale, Alberto Sanchez-Marroquin, Zhiqiang Cui, Grace C. E. Porter

Publikováno v: BASE-Bielefeld Academic Search Engine
Journal of Geophysical Research: Atmospheres, 125 (22)
Journal of Geophysical Research: Atmospheres

Clouds containing supercooled water are important for both climate and weather, but our knowledge of which aerosol particle types nucleate ice in these clouds is far from complete. Combustion aerosols have strong anthropogenic sources, and if these a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c9d1b1f24b05ee2bad4fba87240bc0a3