An appealing approach for understanding these complex systems is to study the properties of the system's "potential energy landscape" (PEL), described by the 3 -coordinates of all particles in the multi-dimensional configuration space, or landscape, of the potential energy of the system (is the...
V(x)表示potential energy landscape,它的高度代表它的甲基化模式是x时的不可能的程度,相对于最可能的x*。V(x)=U(x)-U(x*),x*是能量最低的甲基化模式(ground state)。这种energy landscape中有一个或者多个potential well,这种well位置在该局部区域有最小的U(x)。每一个well的甲基化模式都是该局部区域内...
In 1940, Waddington coined the term “epigenetic landscape” as a metaphor for pluripotency and differentiation, but methylation landscapes have not yet been rigorously computed. Using principles from statistical physics and information theory, we derive epigenetic energy landscapes from whole-genome ...
Rigid rotation (in which the molecule is kept frozen during variation of the torsional angle) is found to introduce large errors in the relative energies and geometries of the stationary points; it appears to be best to compute relaxed potential energy surfaces wherever possible, even if this ...
Potential energy landscape-based extended van der Waals equation The inherent structures ({\\it IS}) are the local minima of the potential\nenergy surface or landscape, $U({\\bf r})$, of an {\\it N} atom system.\nStillinger has given an exact {\\it IS} formulation of ...
As a representative impactful materials application, we next demonstrate the ability of our c-MCTS approach to successfully navigate through an 18-dimensional potential energy landscape (see Methods section and Supplementary Note 3—Section 7.1 for a description of the hybrid bond-order formalism) for...
Landscapes have been changing at an increasing pace over the past century, with countless consequences for humans and their surrounding environments. Information on past and future land use change and the resulting alteration of landscape service provisi
The activation-relaxation technique (ART), a saddle-point search method, is applied to determine the potential energy landscape around supercooled and glassy configurations of a three-dimensional binary Lennard-Jones system. We show a strong relation between the distribution of activation energies around...
We study the potential energy landscape explored during a compression-decompression cycle for the simple point charge extended model of water. During the cycle, the system changes from low density amorphous (LDA) ice to high density amorphous ice. After the cycle, the system does not return to ...
2) image energy spectrum 图像能量谱 1. Hidden Markov model(HMM) and image energy spectrum were used in extracted features. 根据真实图像和计算机生成图像在采集方式上的不同所导致的关联性差异,建立了基于隐马尔科夫模型和图像能量谱特性的插值检测算法,选用支持向量机作为分类器进行训练和测试,对真实图像...