几何优化（Geometry Optimization）是通过确定势能面的极小值点来预测体系的平衡结构，通过寻找鞍点来预测体系的过渡态结构。
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几何构型优化 Geometry Optimization
针对优化几何集成方法 optimized geometric ensembles
几何参数最优化 geometric optimization
In this thesis, for computing configuration of liquid crystals, the finite element method is used to discretize the problem involved, and a geometric optimization algorithm is borrowed to solve the finite-dimensional problem on some product manifold.
本文基于液晶构型计算的一个问题,用有限元法将其离散为有限维,并在积流形上用几何优化算法求这个有限维问题的数值解。
参考来源 - 几何优化算法在液晶构型问题中的应用On the basis of modeling ancient architecture, carries on the key technologies in modeling process, has studied the geometry optimization techniques and the texture optimization techniques with emphasis.
在建立的模型基础上,对建模过程应用的关键技术,进行详细阐述,重点研究了几何优化技术和纹理优化技术。
参考来源 - 基于虚拟现实的古建筑建模技术的研究和应用Firstly, basing on Materials Studio and its modules of Visualizer and CASTEP, we have performed geometry optimization and calculation of free energy for crystal structure of titanium-aluminium intermetallic compound.
首先,基于Materials Studio软件及其Visualizer和CASTEP模块,对钛铝金属间化合物晶体结构进行几何优化和自由能计算。
参考来源 - 钛铝金属间化合物的稳定性和表面抗氧化性的理论研究·2,447,543篇论文数据，部分数据来源于NoteExpress
几何优化也有可能为国家的平均RASSCF能量。
Geometry optimization is possible also for state average RASSCF energies.
首先对其晶格进行了几何优化，优化后的晶格常数与实验相符。
The lattice optimization was performed at first in consistence with the experimental one.
最后用几何优化法对泵房沉井基础的工程费估算作了应用性探讨。
Finally, the original cost estimation of open caisson pump house is made with the geometric optimization.
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