论文部分内容阅读
Flower-like Nickel cobaltite/activated carbon core-shell quantum dots supported on graphene as enhan
【机 构】
：
Schcool of Electrical and Electronic Engineering,ShenZhen 518055,China
【出 处】
：
第二届中国(国际)能源材料化学研讨会
【发表日期】
：
2017年期
其他文献
A unified theoretical framework for mapping models for the multi-state Hamiltonian and a unified the
会议
Simulating biologically relevant timescales at atomic resolution is a challenging task since typical atomistic simulations are at least two orders of magnit
会议
高精度的适合化学反应的势能面长期以来必须依靠量子力学(第一性原理)计算,从而目前常常对复杂反应体系的计算模拟无能为力.为了摆脱此困境,进行超大规模(2000 原子以上)材料
会议
化学、生物、材料等许多领域都涉及十分复杂的光物理过程和光化学反应。仅依靠实验研究很难弄清楚它们的微观动力学机制，理论计算在其中起着不可代替的角色。在本报告中，我
Time-dependent wavepacket diffusive method and its applications to carrier dynamics in organic mater
Computer Simulation and Analysis of Proteins:from Study of One Protein at a Time Based on QM/MM MD a
Applications of different computational approaches to study proteins in biological systems will be discussed in this talk.We will first show how molecular d
会议
In the simulation of dynamics with curve-crossing,the states involved are close in energy,and the Born-Oppenheimer approximation breaks down.The dynamics is
In this talk,the N-body reduced density matrix(RDM) approach for nonorthogonal orbitals and their applications to ab initio classical valence bond(VB) methods a
会议
Density functional theory of electronic structure is widely and successfully used in simulations throughout engineering and sciences.However,there are major fai
会议