Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects
F Baletto, R Ferrando - Reviews of modern physics, 2005 - APS
The structural properties of free nanoclusters are reviewed. Special attention is paid to the
interplay of energetic, thermodynamic, and kinetic factors in the explanation of cluster …
interplay of energetic, thermodynamic, and kinetic factors in the explanation of cluster …
Block copolymer nanolithography: translation of molecular level control to nanoscale patterns
Block Copolymer Nanolithography: Translation of Molecular Level Control to Nanoscale Patterns
Page 1 Block Copolymer Nanolithography: Translation of Molecular Level Control to Nanoscale …
Page 1 Block Copolymer Nanolithography: Translation of Molecular Level Control to Nanoscale …
Improving physical realism, stereochemistry, and side‐chain accuracy in homology modeling: four approaches that performed well in CASP8
A correct alignment is an essential requirement in homology modeling. Yet in order to bridge
the structural gap between template and target, which may not only involve loop …
the structural gap between template and target, which may not only involve loop …
Particle-swarm structure prediction on clusters
We have developed an efficient method for cluster structure prediction based on the
generalization of particle swarm optimization (PSO). A local version of PSO algorithm was …
generalization of particle swarm optimization (PSO). A local version of PSO algorithm was …
Monolayer MoS2 Bandgap Modulation by Dielectric Environments and Tunable Bandgap Transistors
Semiconductors with a moderate bandgap have enabled modern electronic device
technology, and the current scaling trends down to nanometer scale have introduced two …
technology, and the current scaling trends down to nanometer scale have introduced two …
Heralded generation of ultrafast single photons in pure quantum states
We present an experimental demonstration of heralded single photons prepared in pure
quantum states from a parametric down-conversion source. It is shown that, through …
quantum states from a parametric down-conversion source. It is shown that, through …
[图书][B] Global optimization: theory, algorithms, and applications
M Locatelli, F Schoen - 2013 - SIAM
The first systematic overviews on global optimization appeared in 1975–1978 thanks to two
fundamental volumes titled Towards Global Optimization (Dixon & Szegö, 1975, 1978). At …
fundamental volumes titled Towards Global Optimization (Dixon & Szegö, 1975, 1978). At …
Properties of classical and quantum Jensen-Shannon divergence
J Briët, P Harremoës - Physical Review A—Atomic, Molecular, and Optical …, 2009 - APS
Jensen-Shannon divergence (JD) is a symmetrized and smoothed version of the most
important divergence measure of information theory, Kullback divergence. As opposed to …
important divergence measure of information theory, Kullback divergence. As opposed to …
Jensen-Shannon divergence as a measure of distinguishability between mixed quantum states
AP Majtey, PW Lamberti, DP Prato - … Review A—Atomic, Molecular, and Optical …, 2005 - APS
We discuss an alternative to relative entropy as a measure of distance between mixed
quantum states. The proposed quantity is an extension to the realm of quantum theory of the …
quantum states. The proposed quantity is an extension to the realm of quantum theory of the …
Metrics for measuring distances in configuration spaces
In order to characterize molecular structures we introduce configurational fingerprint vectors
which are counterparts of quantities used experimentally to identify structures. The …
which are counterparts of quantities used experimentally to identify structures. The …