师资队伍

选矿与冶金工程系

廖康

作者:   时间:2025-09-17   点击数:


1 基本信息:

 

 

姓名:

廖康

职称职务:

专任教师

学位:

学博士

电话:

13270881677

电子邮箱:

20251078@xjut.edu.cn

研究方向:

理论与计算化学(包括量子化学、分子模拟、机器学习、选矿与冶金计算化学等);重点方向为关键矿物选冶过程的计算模拟、选冶药剂分子与矿物功能材料的理性设计

 

1 学习工作经历

2011.09-2015.06  中国石油大学(华东)材料化学专业攻读本科,获学士学位;

2015.09-2022.09  南京大学物理化学专业硕博连读;获士学位;

2022.09-2024.12  上海鸿之微科技股份有限公司,任仿真研发工程师(博士后);

2025.01-2025.07  宁波甬江实验室博士后

2025.09-至今    新疆工学学院新能源与矿业学院,矿物加工工程专任教师

1 研究项目:

[1] 兵团科技计划杰出青年项目,新疆火烧云铅锌矿高效浮选界面配位化学与分选强化,2025.04-2027.03参与

[2] 国家自然科学基金重点项目复杂分子组装体的电子结构计算方法与静电极化模型2021.01-2025.12参与

[3] 国家自然科学基金面上项目低标度量子化学程序2019.01-2022.12参与

 

1 代表性论文:

[1] K Liao, S Dong, Z Cheng, W Li, S Li. Combined fragment-based machine learning force field with classical force field and its application in the NMR calculations of macromolecules in solutions. Physical Chemistry Chemical Physics 24 (31), 18559-18567 (唯一第一作者)

[2] K Liao, S Wang, W Li, S Li. Generalized energy-based fragmentation approach for calculations of solvation energies of large systems. Physical Chemistry Chemical Physics 23 (35), 19394-19401 (唯一第一作者)

[3] 廖康,程正,李云志,赵东波,李伟,黎书华. 大分子和凝聚相体系的快速量子化学计算: 普适的基于

能量的分块方法的发展和应用. 科学通报 63 (33), 3427-3441 (唯一第一作者)

[4] D Zhao, K Liao, B Hong, W Li, S Li. Accurate and efficient prediction of vibrational circular dichroism spectra of condensed-phase systems with the generalized energy-based fragmentation method. Electronic Structure 5 (1), 014001 (共同第一作者)

[5] J Du, K Liao, J Ma, W Li, S Li. Generalized Energy-Based Fragmentation Approach for the Electronic Emission Spectra of Large Systems. Journal of Chemical Theory and Computation 18 (12), 7630-7638

[6] F Fu, K Liao, J Ma, Z Cheng, D Zheng, L Gao, C Liu, S Li, W Li. How intermolecular interactions influence electronic absorption spectra: insights from the molecular packing of uracil in condensed phases. Physical Chemistry Chemical Physics 21 (7), 4072-4081

[7] F Fu, K Liao, Z Liu, D Hong, H Yang, Y Tian, W Wei, C Liu, S Li, J Ma, W Li. Controlled fluorescence enhancement of dna-binding dye through chain length match between oligoguanine and TOTO. The Journal of Physical Chemistry B 125 (2), 518-527

[8] ZP Yan, K Liao, HB Han, J Su, YX Zheng, JL Zuo. Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs. Chemical Communications 55 (57), 8215-8218

[9] ZP Yan, XF Luo, K Liao, ZX Lin, ZG Wu, YH Zhou, YX Zheng. The Taiji and Eight Trigrams chemistry philosophy of chiral iridium (iii) complexes with triplex stereogenic centers. Dalton Transactions 47 (12), 4045-4048

[10] ZP Yan, XF Luo, K Liao, YX Zheng, JL Zuo. Rational design of the platinahelicene enantiomers for deep-red circularly polarized organic light-emitting diodes. Frontiers in Chemistry 8, 501

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