郭茵 教授
材料计算与物质模拟




办公地点: 北园物理楼303
电子邮箱: yinguo@ruc.edu.cn
电话:
传真: 0086-
研究组主页:


教育经历:
1992年在美国马里兰大学物理系获博士学位。

工作经历:
1993年起在美国奥克拉荷马州立大学工作， 先后在化学系任博士后，物理系任客座助理教授，助理教授，客座副教授。
2013年起在中国人民大学任教授。

研究兴趣:
主要研究领域是计算物理和计算化学。主要研究方向是多原子系统中计算方法的发展及应用，即采用分子动力学、半经典理论、量子计算及统计的方法研究物理和化学现象，包括气态及凝聚态中的分子反应动力学，固体材料的动力学及结构等特性。
主讲过的课程包括：
1.本科生课程：大学物理（力学）、物理描述、工程现代物理（半导体物理导论）、统计热力学、现代物理 I、现代物理 II；
2.研究生课程：物理化学中的问题（计算方法）、统计热力学。

人才培养:




主要工作和成果:
1. P. Pham and Y. Guo, “A Semiclassical Study of Cis-Trans Isomerization in HONO Using an Interpolating Moving Least-Squares Potential”, J. Chem. Phys. 138, 144304 (2013).
2. Y. Guo, I. Tokmakov, D. L. Thompson, A. F. Wagner, and M. Minkoff, “Interpolating Moving Least-Squares Methods for Fitting Potential Energy Surfaces: Improving Efficiency via Local Approximants”, J. Chem. Phys. 127, 214106 (2007).
3. R. Daws, D. L. Thompson, Y. Guo, A. F. Wagner, and M. Minkoff, “Interpolating Moving Least-Squares Methods for Fitting Potential Energy Surfaces: Computing High-Density Potential Energy Surface Data from Low-Density ab initio Data Points”, J. Chem. Phys. 126, 184108 (2007).
4. Y. Guo, A. Kawano, D. L. Thompson, A. F. Wagner, and M. Minkoff, “Interpolating Moving Least-Squares Methods for Fitting Potential Energy Surfaces: Applications to Classical Dynamics Calculations”, J. Chem. Phys. 121, 5091 (2004).
5. Y. Guo and D. L. Thompson, “A Theoretical Study of Cis-Trans Isomerization in HONO Using an Empirical Valence Bond Potential”, J. Chem. Phys. 118, 1673 (2003).
6. Y. Guo and D. L. Thompson, “Theoretical Studies of the Decomposition of RDX in Liquid Xenon”, J. Phys. Chem. B 103, 10599 (1999).
7. Y. Guo, D. V. Shalashilin, J. A. Krouse, and D. L. Thompson, “Intramolecular Dynamics Diffusion Theory Approach to Complex Unimolecular Reactions”, J. Chem. Phys. 110, 5521 (1999).
8. Y. Guo and D. L. Thompson, “A Semiclassical Method for Treating Tunneling in Molecular Collisions”, J. Chem. Phys. 105, 7480 (1996).
9. Y. Guo, T. D. Sewell, and D. L. Thompson, “Analysis of the Zero-Point Energy Problem in Classical Trajectory Simulations”, J. Chem. Phys. 104, 576 (1996).
10. T. D. Sewell, Y. Guo, and D. L. Thompson, “Semiclassical Calculation of Tunneling Splitting in Malonaldehyde”, J. Chem. Phys. 103, 8557 (1995).
11. Y. Guo and D. L. Thompson, “A Multidimensional Semiclassical Approach for Treating Tunneling within Classical Trajectory Simulations”, in Modern Methods for Multidimensional Dynamics Computations in Chemistry, edited by D. L. Thompson (World Scientific Pub., New Jersey, 1998).