The amino acid composition and the biased auto-correlation function are considered as features, BP neural network algorithm is used to synthesize these features. The prediction accuracy of this method is verified by u...The amino acid composition and the biased auto-correlation function are considered as features, BP neural network algorithm is used to synthesize these features. The prediction accuracy of this method is verified by using the independent non-homologous protein database. It is shown that the average absolute errors for resubstitution test are 0.070 and 0.068 with the standard deviations 0.049 and 0.047 for the prediction of the content of α-helix and β-sheet respectively. For cross-validation test, the average absolute errors are 0.075 and 0.070 with the standard deviations 0.050 and 0.049 for the prediction of the content of α-helix and β-sheet respectively. Compared with the other methods currently available, the BP neural network method combined with the amino acid composition and the biased auto-correlation function features can effectively improve the prediction accuracy.展开更多
The microscopic equations of motion including many-body effects are derived to study the intersubband polarization in the double quantum well structure induced by an ultrafast pumping infrared light. Based on the self...The microscopic equations of motion including many-body effects are derived to study the intersubband polarization in the double quantum well structure induced by an ultrafast pumping infrared light. Based on the selfconsistent field theory, the transient probe absorption coefficient is calculated. These calculations are beyond the previous steady-state assumption. Transient probe absorption spectra are calculated under different pumping intensity and various pump probe delay.展开更多
The electronic structures,chemical bonding,elastic and optical properties of the novel hP24 phase WB3 were investigated by using density-functional theory(DFT) within generalized gradient approximation(GGA).The calcul...The electronic structures,chemical bonding,elastic and optical properties of the novel hP24 phase WB3 were investigated by using density-functional theory(DFT) within generalized gradient approximation(GGA).The calculated energy band structures show that the hP24 phase WB3 is metallic material.The density of state(DOS) and the partial density of state(PDOS) calculations show that the DOS near the Fermi level is mainly from the W 5d and B 2p states.Population analysis suggests that the chemical bonding in hP24-WB3 has predominantly covalent characteristics with mixed covalent-ionic characteristics.Basic physical properties,such as lattice constant,bulk modulus,shear modulus and elastic constants Cij were calculated.The elastic modulus E and Poisson ratio υ were also predicted.The results show that hP24-WB3 phase is mechanically stable and behaves in a brittle manner.Detailed analysis of all optical functions reveals that WB3 is a better dielectric material,and reflectivity spectra show that WB3 can be promised as good coating material in the energy regions of 8.5-11.4 eV and 14.5-15.5 eV.展开更多
We are going to prove that the Monopole and the Coulomb fields are duals within the unifying structure provided by the Reissner–Nordstr¨om spacetime. This is accomplished when noticing that in order to produce t...We are going to prove that the Monopole and the Coulomb fields are duals within the unifying structure provided by the Reissner–Nordstr¨om spacetime. This is accomplished when noticing that in order to produce the tetrad that locally and covariantly diagonalizes the stress-energy tensor, both the Monopole and the Coulomb fields are necessary in the construction. Without any of them it would be impossible to express the tetrad vectors that locally and covariantly diagonalize the stress-energy tensor. Then, both electromagnetic fields are an integral part of the same structure, the Reissner–Nordstr¨om geometry.展开更多
文摘The amino acid composition and the biased auto-correlation function are considered as features, BP neural network algorithm is used to synthesize these features. The prediction accuracy of this method is verified by using the independent non-homologous protein database. It is shown that the average absolute errors for resubstitution test are 0.070 and 0.068 with the standard deviations 0.049 and 0.047 for the prediction of the content of α-helix and β-sheet respectively. For cross-validation test, the average absolute errors are 0.075 and 0.070 with the standard deviations 0.050 and 0.049 for the prediction of the content of α-helix and β-sheet respectively. Compared with the other methods currently available, the BP neural network method combined with the amino acid composition and the biased auto-correlation function features can effectively improve the prediction accuracy.
基金the National Fund for Distinguished Young Scholars of China,国家重点基础研究发展计划(973计划),上海市科委资助项目
文摘The microscopic equations of motion including many-body effects are derived to study the intersubband polarization in the double quantum well structure induced by an ultrafast pumping infrared light. Based on the selfconsistent field theory, the transient probe absorption coefficient is calculated. These calculations are beyond the previous steady-state assumption. Transient probe absorption spectra are calculated under different pumping intensity and various pump probe delay.
基金Project(11271121)supported by the National Natural Science Foundation of ChinaProject(11JJ2002)supported by the Natural Science Foundation of Hunan Province,China+1 种基金Project(11K038)supported by Key Laboratory of Computational and Stochastic Mathematics of Ministry of Education of ChinaProject(2013GK3130)supported by the Scientific and Technological Plan of Hunan Province,China
文摘The electronic structures,chemical bonding,elastic and optical properties of the novel hP24 phase WB3 were investigated by using density-functional theory(DFT) within generalized gradient approximation(GGA).The calculated energy band structures show that the hP24 phase WB3 is metallic material.The density of state(DOS) and the partial density of state(PDOS) calculations show that the DOS near the Fermi level is mainly from the W 5d and B 2p states.Population analysis suggests that the chemical bonding in hP24-WB3 has predominantly covalent characteristics with mixed covalent-ionic characteristics.Basic physical properties,such as lattice constant,bulk modulus,shear modulus and elastic constants Cij were calculated.The elastic modulus E and Poisson ratio υ were also predicted.The results show that hP24-WB3 phase is mechanically stable and behaves in a brittle manner.Detailed analysis of all optical functions reveals that WB3 is a better dielectric material,and reflectivity spectra show that WB3 can be promised as good coating material in the energy regions of 8.5-11.4 eV and 14.5-15.5 eV.
文摘We are going to prove that the Monopole and the Coulomb fields are duals within the unifying structure provided by the Reissner–Nordstr¨om spacetime. This is accomplished when noticing that in order to produce the tetrad that locally and covariantly diagonalizes the stress-energy tensor, both the Monopole and the Coulomb fields are necessary in the construction. Without any of them it would be impossible to express the tetrad vectors that locally and covariantly diagonalize the stress-energy tensor. Then, both electromagnetic fields are an integral part of the same structure, the Reissner–Nordstr¨om geometry.