Xi Chen

Contingent Worker
Contingent Worker
T304 Dept. Applied Physics
Full researcher profile
[email protected]


  • Computational Electronic Structure Theory, Visitor (Faculty)


Machine-learning accelerated structure search for ligand-protected clusters

Lincan Fang, Jarno Laakso, Patrick Rinke, Xi Chen 2024

Core-Selective Silver-Doping of Gold Nanoclusters by Surface-Bound Sulphates on Colloidal Templates: From Synthetic Mechanism to Relaxation Dynamics

Sourov Chandra, Alice Sciortino, Shruti Shandilya, Lincan Fang, Xi Chen, Hua Jiang, Leena Sisko Johansson, Marco Cannas, Janne Ruokolainen, Robin H.A. Ras, Fabrizio Messina, Bo Peng, Olli Ikkala 2023

Gold Au(I)6 Clusters with Ligand-Derived Atomic Steric Locking: Multifunctional Optoelectrical Properties and Quantum Coherence

Sourov Chandra, Alice Sciortino, Susobhan Das, Faisal Ahmed, Arijit Jana, Jayoti Roy, Diao Li, Ville Liljeström, Hua Jiang, Leena Sisko Johansson, Xi Chen, Marco Cannas, Thalappil Pradeep, Bo Peng, Robin H.A. Ras, Zhipei Sun, Olli Ikkala, Fabrizio Messina 2023

Exploring the Conformers of an Organic Molecule on a Metal Cluster with Bayesian Optimization

Lincan Fang, Xiaomi Guo, Milica Todorovic, Patrick Rinke, Xi Chen 2023

Molecular Conformer Search with Low-Energy Latent Space

Xiaomi Guo, Lincan Fang, Yong Xu, Wenhui Duan, Patrick Rinke, Milica Todorović, Xi Chen 2022

Structural phase transition of monochalcogenides investigated with machine learning

J. Zhang, Feng Zhang, D. Wei, L. Liu, X. Liu, Dangqi Wang, G. X. Zhang, X. Chen, D. Wang 2022

Efficient Amino Acid Conformer Search with Bayesian Optimization

Lincan Fang, Esko Makkonen, Milica Todorović, Patrick Rinke, Xi Chen 2021

Chiral Superatomic Nanoclusters Ag47 Induced by the Ligation of Amino Acids

Wen Di Liu, Jia Qi Wang, Shang Fu Yuan, Xi Chen, Quan Ming Wang 2021

Real-time time-dependent density functional theory implementation of electronic circular dichroism applied to nanoscale metal-organic clusters

Esko Makkonen, Tuomas P. Rossi, Ask Hjorth Larsen, Olga Lopez-Acevedo, Patrick Rinke, Mikael Kuisma, Xi Chen 2021

Machine learning force fields based on local parametrization of dispersion interactions

Heikki Muhli, Xi Chen, Albert P. Bartók, Patricia Hernández-León, Gábor Csányi, Tapio Ala-Nissila, Miguel A. Caro 2021