个人简历

主持国家自然科学基金面上项目“微环境对化学过程立体选择性影响的计算研究”（在研）参与国家自然科学基金重点项目“振动光谱解析生物分子结构和动力学”（在研）参与国家自然科学基金培育项目“发展全量子力学反应力场系统模拟燃烧反应过程”（在研）

研究领域

A.用量子力学手段研究分子性质，如微环境对化学过程立体选择性的影响 B.用经典动力学研究分子受媒介的影响如饮料中的气体扩散行为，用动力学研究生物大分子对于其功能的影响 C.用信息学手段如PCA，NMD，SVD，XNN，SVM等研究化学数据，理解化学并期望得到规律

近期论文

1. Ji Lv, Ying Sun, Shaohui Liu, Ya Kun Chen, and Jiali Gao, How Fast CO2 Molecules Diffuse in Carbonated Beverages: a Molecular Dynamics Study （to be submitted） 2. Miguel Angel Garcia-Chavez, Ya Kun Chen, and Yan Alexander Wang, LIST Based on Minimization of Intra-iteration Errors (submitted) 3. Meiyi Liu, Yingjie Wang, Yakun Chen, Martin J.Field, and Jiali Gao, QM/MM through the 1990s: The First Twenty Years of Method Development and Applications，Israel Journal of Chemistry，2014，54（8-9）：1250-1263 4. Zhang, Zhan; Chen, Yakun; and Dolphin, David, Diastereoselective generation of triple-stranded helicates induced by gem-dimethyl groups on a linker, DALTON TRANSACTIONS, 2012, 41, 4751-4753 5. Yakun Chen, Yan Alexander Wang, LISTb: a Better Direct Approach to LIST, Journal of Chemical Theory and Computation, 2011, 7(10): 3045-3048 6. Yakun Chen, Lei Vincent Liu, Wei Quan Tian, Yan Alexander Wang, Theoretical Studies of Transition-Metal-Doped Single-Walled Carbon Nanotubes, Journal of Physical Chemistry C, 2011, 115: 9306-9311 7. Yakun Chen, Donald G Fleming, Yan Alexander Wang, Theoretical calculations of hyperfine coupling constants for muoniated butyl radicals, Journal of Physical Chemistry A, 2011, 115(13): 2765-2777 8. Yakun Chen, Lei Vincent Liu, Yan Alexander Wang, Density Functional Study of Interaction of Atomic Pt with Pristine and Stone-Wales-Defective Single-Walled Boron Nitride Nanotubes, Journal of Physical Chemistry C, 2010, 114: 12382-12388