Selected Publications (35 in total)
1. Xiaomi Guo, Lingcan Fang, Yong Xu, Duanwen Hui, Patrick Rinke, Milica Todorović* and Xi Chen*, “Efficient Amino Acid Conformer Search with Bayesian Optimization”,
Journal of Chemical Theory and Computation 18, 4574 (2022).
2. Heikki Muhli, Xi Chen*, Albert P. Bartók, Patricia Hernández-León, Gábor Csányi, Tapio Ala-Nissila, and Miguel A. Caro*, “Machine learning force fields based on local parametrization of dispersion interactions: Application to the phase diagram of C60”, Physical Review B 104, 054106 (2021).
3. Wen-Di Liu, Jia-Qi Wang, Shang-Fu Yuan, Xi Chen* and Quan-Ming Wang*, “Chiral Superatomic Nanoclusters Ag47 Induced by the Ligation of Amino Acids”.
Angewandte Chemie International Edition 60, 11430 (2021).
4. Yanan Wang, Esko Makkonen, Xi Chen* and Thomas Burgi*, “Absolute configuration retention of a conformationally labile ligand during dynamic processes of thiolate protected gold cluster”, Chemical Science 12, 9413 (2021).
5. Lincan Fang, Esko Makkonen, Milica Todorović, Patrick Rinke* and Xi Chen*, “Efficient Amino Acid Conformer Search with Bayesian Optimization”,
Journal of Chemical Theory and Computation 17, 1955 (2021).
6. Esko Makkonen, Tuomas Rossi*, Ask Hjorth Larsen, Olga Lopez-Acevedo, Patrick Rinke, Mikael Kuisma* and Xi Chen*, “ Real-time time-dependent density functional theory implementation of electronic circular dichroism applied to nanoscale metal-organic clusters”, Journal of Chemical Physics 154, 114102 (2021).
7. Xi Chen*, Mauro Boero and Olga Lopez-Acevedo, “Atomic structure and origin of chirality of DNA-stabilized silver clusters”, Physical Review Materials 4, 065601 (2020).
8. Xi Chen*, Esko Makkonen, Dorothea Golze and Olga Lopez-Acevedo*, “Silver-Stabilized Guanine Duplex: Structural and Optical Properties”,
The Journal of Physical Chemistry Letter 9, 4789 (2018).
9. Huayan Yang, Yu Wang, Xi Chen, Xiaojing Zhao, Liu Gu, Huaqi Huang, Juanzhu Yan, Chaofa Xu, Gang Li, Junchao Wu, Alison J. Edwards, Birger Dittrich, Zichao Tang, Dongdong Wang, Lauri Lehtovaara, Hannu Häkkinen and Nanfeng Zheng “Plasmonic twinned silver nanoparticles with molecular precision”, Nature Communication 7, 12809 (2016).
10. Kirsi Salorinne, Sami Malola, O. Andrea Wong, Christopher D. Rithner, Xi Chen, Christopher J. Ackerson and Hannu Häkkinen*, “Conformation and dynamics of the ligand shell of a water-soluble Au102 nanoparticle”, Nature Communication 7, 10401 (2016).
11. Xi Chen and Hannu Häkkinen*, “Protected but Accessible: Oxygen Activation by a Calixarene-Stabilized Undecagold Cluster”,
Journal of American Chemical Society 135, 12944 (2013).
12. Xi Chen, Mikkel Strange and Hannu Häkkinen*, “Nonmagnetic and magnetic thiolate- protected Au25 superatoms on Cu (111), Ag (111), and Au (111) surfaces”,
Physics Review B 85, 085422 (2012).
13. Xi Chen and M. Alouani*, “Effect of metallic surfaces on the electronic structure, magnetism, and transport properties of Co-phthalocyanine molecules”, Physics Review B 82, 094443 (2010).
14. Xi Chen, Qing-Rong Zheng and Gang Su*, “Spin transfer and critical current for magnetization reversal in the ferromagnet-ferromagnet-ferromagnet double-barrier tunnel junctions”,
Physics Review B 78, 104410 (2008).
15. Xi Chen, Qing-Rong Zheng, and Gang Su*, “Oscillations of tunnel magnetoresistance induced by spin-wave excitations in ferromagnet-ferromagnet-ferromagnet double-barrier tunnel junctions”, Physical Review B 76, 144409 (2007).
