[HTML][HTML] Historical review of computer simulation of radiation effects in materials

K Nordlund - Journal of Nuclear Materials, 2019 - Elsevier
In this Article, I review the development of computer simulation techniques for studying
radiation effects in materials from 1946 until 2018. These developments were often closely …

Theoretical and computational strategies for rational molecularly imprinted polymer design

IA Nicholls, HS Andersson, C Charlton… - Biosensors and …, 2009 - Elsevier
The further evolution of molecularly imprinted polymer science and technology necessitates
the development of robust predictive tools capable of handling the complexity of molecular …

[图书][B] Computer science handbook

AB Tucker - 2004 - taylorfrancis.com
When you think about how far and fast computer science has progressed in recent years, it's
not hard to conclude that a seven-year old handbook may fall a little short of the kind of …

Microscopic Insights into the Sputtering of Ag{111} Induced by C60 and Ga Bombardment

Z Postawa, B Czerwinski, M Szewczyk… - The Journal of …, 2004 - ACS Publications
Molecular dynamics computer simulations have been utilized to compare the differences in
the mechanism of sputtering of Ag {111} by kiloelectronvolt Ga and C60 projectiles. The …

Enhancement of Sputtering Yields Due to C60 versus Ga Bombardment of Ag{111} As Explored by Molecular Dynamics Simulations

Z Postawa, B Czerwinski, M Szewczyk… - Analytical …, 2003 - ACS Publications
The mechanism of enhanced desorption initiated by 15-keV C60 cluster ion bombardment of
a Ag single crystal surface is examined using molecular dynamics computer simulations …

Mass spectrometry as a tool to advance polymer science

K De Bruycker, A Welle, S Hirth, SJ Blanksby… - Nature Reviews …, 2020 - nature.com
In contrast to natural polymers, which have existed for billions of years, the first well-
understood synthetic polymers date back to just over one century ago. Nevertheless, this …

The use of computational methods for the development of molecularly imprinted polymers

IA Nicholls, K Golker, GD Olsson, S Suriyanarayanan… - Polymers, 2021 - mdpi.com
Recent years have witnessed a dramatic increase in the use of theoretical and
computational approaches in the study and development of molecular imprinting systems …

Computational view of surface based organic mass spectrometry

BJ Garrison, Z Postawa - Mass Spectrometry Reviews, 2008 - Wiley Online Library
Surface based mass spectrometric approaches fill an important niche in the mass analysis
portfolio of tools. The particular niche depends on both the underlying physics and chemistry …

Rational design of biomimetic molecularly imprinted materials: theoretical and computational strategies for guiding nanoscale structured polymer development

IA Nicholls, HS Andersson, K Golker… - Analytical and …, 2011 - Springer
In principle, molecularly imprinted polymer science and technology provides a means for
ready access to nano-structured polymeric materials of predetermined selectivity. The …

Energy and angular distributions of sputtered species

H Gnaser - Topics in applied physics, 2007 - Springer
Energy and angular distributions of sputtered species from a wide variety of target materials
(metals, semiconductors, alkali halides, frozen gases, and organic solids) are discussed …