王雅（講師）
人物簡歷
2022.7-至今，北京科技大學，講師
2019.5-2022.6，清華大學，博士後，助理研究員
2017.6-2017.9，美國Georgia Institute of Technology，聯合培養博士生
2015.9-2017.5，美國University of Puerto Rico，聯合培養博士生
2011.9-2019.3，大連理工大學，博士（碩博連讀）
2007.9-2011.7，鄭州大學，學士
研究領域
1. 新型污染物環境行為的模擬預測.
2. 催化劑表面污染物降解機理的密度泛函理論研究.
學術成果
論文
1. Ya Wang, Weihao Tang, Zijun Xiao, Wenhao Yang, Yue Peng, Jingwen Chen, Junhua Li*. Novel MLR and SVM models for predicting hexadecane/air partition coefficients of organic compounds. Journal of Environmental Sciences, 2023, 124: 98-104.
2. Ya Wang, Weihao Tang, Yue Peng*, Zhongfang Chen*, Jingwen Chen*, Zijun Xiao, Xiaoguang Zhao, Yakun Qu, Junhua Li. Predicting the adsorption of organic pollutants on boron nitride nanosheets via in silico techniques: DFT computations and QSAR modeling. Environmental Science: Nano, 2021, 8: 795-805.
3. Ya Wang, Jingwen Chen*, Weihao Tang, Deming Xia, Yuzhen Liang, Xuehua Li. Modeling adsorption of organic pollutants onto single-walled carbon nanotubes with theoretical molecular descriptors using MLR and SVM algorithms. Chemosphere, 2019, 214: 79-84.
4. Ya Wang, Jeffrey Comer*, Zhongfang Chen, Jingwen Chen*, James C. Gumbart*. Exploring adsorption of neutral aromatic pollutants onto graphene nanomaterials via molecular dynamics simulations and theoretical linear solvation energy relationships. Environmental Science: Nano, 2018, 5: 2117-2128.
5. Ya Wang, Jingwen Chen*, Xiaoxuan Wei, Arturo J. Hernandez Maldonado, Zhongfang Chen*. Unveiling adsorption mechanisms of organic pollutants onto carbon nanomaterials by density functional theory computations and linear free energy relationship modeling. Environmental Science & Technology, 2017, 51: 11820-11828.
6. Ya Wang, Jingwen Chen, Xianhai Yang, Felichesmi Lyakurwa, Xuehua Li*, Xianliang Qiao. In silico model for predicting soil organic carbon normalized sorption coefficient (KOC) of organic chemicals. Chemosphere, 2015, 119: 438-444.
7. Jiaxing Wang,# Ya Wang, # Yang Huang, Willie J. G. M. Peijnenburg, Jingwen Chen, Xuehua Li*. Development of a nano-QSPR model to predict band gaps of spherical metal oxide nanoparticles. RSC Advances, 2019, 9: 8426-8434.
科研項目
1. 國家自然科學基金重點項目「基於新型環境功能材料的大氣污染控制化學基礎研究」，2020-2024，參與.
2. 國家自然科學基金面上項目「基於原位光譜結合量化計算方法的鈣鈦礦催化劑定向設計及高效脫除VOCs反應機理研究」，2018-2021，參與.
3. 北京市自然科學基金面上項目「NOx還原協同VOCs氧化的雙功能催化劑研發」，2020-2022，參與[1]