江瑛芝

助理教授

教育背景

博士(德国海德堡大学)

研究领域
计算生物学、理论化学、非平衡物理学
电子邮件
chiangyc@cuhk.edu.cn
个人简介

江瑛芝教授于2004年于台湾大学本科毕业,在2012年拿到德国海德堡大学理论化学博士学位。博士毕业后,她加入香港中文大学物理系做生物物理方面的研究。于博士后期间,发展了一套在VMD平台上的软件,可用于辅助标靶药物设计,如快速计算药物分子与蛋白质的结合自由能。这期间她也利用电脑方法研究酵素演化,并且申请到英国皇家学会的计画补助(牛顿国际奖学金)。在计画补助期间,她加入南安普敦大学化学系,研究抗生素的抗药性问题,并同时发展一项新的非平衡统计力学方法来计算反应自由能。在她博士班和博士后期间,共发表了23篇文章,引用次数共计359次。江教授于2020年3月加入本校。

 

了解更多: https://mypage.cuhk.edu.cn/academics/chiangyc/

学术著作

List of Publications

1. Y.-C. Chiang, M. T. Y. Wong and J. W. Essex.  Molecular Dynamics Simulations of Anti-biotic Ceftaroline at The Allosteric Site of Penicillin-Binding Protein 2a (PBP2a). Accept-ed by Isr. J. Chem.

2. Y.-C. Chiang, S. Engin, P. Bao, F. Otto, P. Kolorenc, P. Votavova, T. Miteva, J. Gao, N. Sisourat. Molecular bond-breaking induced by Interatomic Coulombic Decay. Phys. Rev. A 100, 052701 (2019).

3. Y.-C. Chiang, O. Levsh, C. K. Lam, J.-K. Weng and Y. Wang.  Structural and dynamic ba-sis of substrate permissiveness in hydroxy-cinnamoyl-transferase (HCT). PLOS Comput. Biol. 14, e1006511 (2018).

4. G. Liou, Y.-C. Chiang, Y. Wang and J.-K. Weng.  Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants. J. Biol. Chem. 293, 18601-18612 (2018).

5. F. Otto, Y.-C. Chiang and D. Peláez.  Accuracy of Potfit-based potential representations and its impact on the performance of (ML-)MCTDH.  Chem. Phys. 509, 116-130 (2018). 

6. A. Haller, Y.-C. Chiang, M. Menger, E. F. Aziz, and A. Bande.  Strong field control of the interatomic Coulombic decay process in quantum dots. Chem. Phys. 482, 135-145 (2017). 

7. O. Levsh, Y.-C. Chiang, C. F. Tung, J. P. Noel, Y. Wang, and J.-K. Weng.  Dynamic con-formational states dictate selectivity toward native substrate in a substrate-permissive acyl-transferase. Biochemistry. 55, 6314-6326 (2016). 

8. Y.-C. Chiang, Y. T. Pang, and Y. Wang.  The role of intramolecular nonbonded interaction and angle sampling in single-step free energy perturbation. J. Chem. Phys. 145, 234109 (2016).

9. Y.-C. Chiang and Y. Wang.  Virtual substitution scan via single-step free energy perturba-tion. Biopolymers. 105, 324-336 (2016).

10. F. Trinter, J. B. Williams, M. Weller, M. Waitz, M. Pitzer, J. Voigtsberger, C. Schober, G. Kastirke, C. Müller, C. Goihl, P. Burzynski, F. Wiegandt, R. Wallauer, A. Kalinin, L. Ph. H. Schmidt, M. S. Schöffler, Y.-C. Chiang, K. Gokhberg, T. Jahnke and, R. Dörner.  A Single Atom Antenna. J. Phys. Conf. Ser. 635, 112099 (2015). 

11.  G. Jabbari, S. Klaiman, Y.-C. Chiang, F. Trinter, T. Jahnke and K. Gokhberg.  Ab initio calculation of ICD widths in photoexcited HeNe.  J. Chem. Phys. 140, 224305 (2014). 

12. T. Miteva, Y.-C. Chiang, P. Kolorenc, A. I. Kuleff, L. S. Cederbaum and K. Gokhberg.  The effect of the partner atom on the spectra of interatomic Coulombic decay triggered by reso-nant Auger processes. J. Chem. Phys. 141, 164303 (2014). 

13. T. Miteva, Y.-C. Chiang, P. Kolorenc, A. I. Kuleff, K. Gokhberg and L. S. Cederbaum.  In-teratomic Coulombic decay following resonant core excitation of Ar in argon dimer.  J. Chem. Phys. 141, 064307 (2014). 

14. Y.-C. Chiang, S. Klaiman, F. Otto and L. S. Cederbaum.  The exact wavefunction factoriza-tion of a vibronic coupling system.  J. Chem. Phys. 140, 054104 (2014). 

15. F. Trinter, J. B. Williams, M. Weller, M. Waitz, M. Pitzer, J. Voigtsberger, C. Schober, G. Kastirke, C. Müller, C. Goihl, P. Burzynski, F. Wiegandt, R. Wallauer, A. Kalinin, L. Ph. H. Schmidt, M. S. Schöffler, Y.-C. Chiang, K. Gokhberg, T. Jahnke, and R. Dörner.  Vibra-tionally resolved decay width of Interatomic Coulombic Decay in HeNe. Phys. Rev. Lett. 111, 233004 (2013). 

16. S. Kopelke, Y.-C. Chiang, K. Gokhberg and L. S. Cederbaum.  Quenching molecular pho-todissociation by intermolecular Coulombic decay. J. Chem. Phys. 137, 034302 (2012). 

17. Y.-C. Chiang, F. Otto, H.-D. Meyer and L. S. Cederbaum.  Kinetic energy release in frag-mentation processes following electron emission: A time-dependent approach.  J. Chem. Phys. 136, 114111 (2012). 

18. T. Ouchi, K. Sakai, H. Fukuzawa, I. Higuchi, Ph. V. Demekhin, Y.-C. Chiang, S. D. Stoychev, A. I. Kuleff, T. Mazza, M. Schöffler, K. Nagaya, M. Yao, Y. Tamenori, N. Saito and K. Ueda.  Interatomic Coulombic decay following Ne 1s Auger decay in NeAr.  Phys. Rev. A 83, 053415 (2011). 

19. Ph. V. Demekhin, Y.-C. Chiang and L. S. Cederbaum.  Resonant Auger decay of the core-excited C*O molecule in intense X-ray laser fields.  Phys. Rev. A 84, 033417 (2011). 

20. Y.-C. Chiang, F. Otto, H.-D. Meyer and L. S. Cederbaum.  Interrelation between the distri-butions of kinetic energy release and emitted electron energy following the decay of elec-tronic states. Phys. Rev. Lett. 107, 173001 (2011). 

21. L. S. Cederbaum, Y.-C. Chiang, Ph. V. Demekhin and N. Moiseyev.  Resonant Auger decay of molecules in intense X-ray laser fields: Light-induced strong nonadiabatic effects. Phys. Rev. Lett. 106, 123001 (2011). 

22. V. Averbukh, Ph. V. Demekhin, P. Kolorenč, S. Scheit, S. D. Stoychev, A. I. Kuleff, Y.-C. Chiang, K. Gokhberg, S. Kopelke, N. Sisourat, and L. S. Cederbaum.  Interatomic electron-ic decay processes in singly and multiply ionized clusters.  J. Electron. Spectrosc. Relat. Phenom. 183, 36-47 (2011). 

23. Y.-C. Chiang, P. V. Demekhin, A. I. Kuleff, S. Scheit and L. S. Cederbaum.  Linewidth and lifetime of atomic levels and the time evolution of spectra and coincidence spectra. Phys. Rev. A 81, 032511 (2010). 

24. Ph. V. Demekhin, Y.-C. Chiang, S. D. Stoychev, P. Kolorenc, S. Scheit, A. I. Kuleff, F. Tarantelli and L. S. Cederbaum.  Interatomic Coulombic decay and its dynamics in NeAr following K-LL Auger transition in the Ne atom.  J. Chem. Phys. 131, 104303 (2009). 、

 

List of Contributed Scientific Software
1. The preconditioner routine for the complex Davidson diagonalization method in the Hei-delberg MCTDH software package (Fortran). See: https://www.pci.uni-heidelberg.de/tc/usr/mctdh/doc/index.html.

2. Software for the quantum molecular dynamics in diatomic molecules under an intense laser field (Fortran).  This code is available on request.

3. Software for the exact factorization wavefunction ansatz for nonadiabatic coupling (Fortran/Matlab). This code is available on request.

4. Virtual Substitution Scan (VSS), a software that post-processes a single MD trajectory for free energy calculations. The code is available at https://github.com/YingChihChiang/VSS. Implemented for the VMD platform using Tcl-C API.

5. ParseFEP plugin for analyzing NAMD free energy calculation output files. I/O bugfix and 3-fold speedup. See: https://www.ks.uiuc.edu/Research/vmd/plugins/parsefep/. Implement-ed in Tcl.

6Software RAFEP for harmonic oscillator potentials and for Lennard-Jones fluids (Py-thon/C++). The code will be made public through an online code repository once our paper is published.