Research Output per year
Research Output per year
Organization profile
Profile Information
The aim of the group is to simulate hybrid soft-nano materials and to model their electronic and dynamical properties. The modeling based on the simulations includes the emergence of electronic properties when the system size varies, the long-scale assembly and dynamical relaxations and the coupling of both. The challenge is to combine and develop computational techniques adequate for this type of multi-scale systems.
The group is part of the Center of Excellence in Computational Nanosciences COMP.
Network
Recent external collaboration on country level. Dive into details by clicking on the dots.
Profiles
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Xi Chen
- Computational Soft and Molecular Matter
- Computational Electronic Structure Theory - Academy Research Fellow
- Department of Applied Physics - Academy Research Fellow
Person: Postdoctoral researchers
Research Output
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Generation of low-symmetry perovskite structures for ab initio computation
Xie, N., Zhang, J., Raza, S., Zhang, N., Chen, X. & Wang, D., 22 Jul 2020, In : Journal of Physics Condensed Matter. 32, 31, 10 p., 315901.Research output: Contribution to journal › Article › Scientific › peer-review
Open Access -
Ewald summation for ferroelectric perovskites with charges and dipoles
Wang, D., Liu, J., Zhang, J., Raza, S., Chen, X. & Jia, C. L., 1 May 2019, In : Computational Materials Science. 162, p. 314-321 8 p.Research output: Contribution to journal › Review Article › Scientific › peer-review
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Large-Z limit in atoms and solids from first principles
Lehtomäki, J. & Lopez-Acevedo, O., 28 Dec 2019, In : Journal of Chemical Physics. 151, 24, p. 1-8 8 p., 244101.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile
Datasets
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Data and Scripts for "Real-Time Time-Dependent Density Functional Theory Implementation of Electronic Circular Dichroism Applied to Nanoscale Metal-Organic Clusters"
Makkonen, E. (Creator), Rossi, T. (Creator), Larsen, A. H. (Creator), Lopez Acevedo, O. (Creator), Rinke, P. (Creator) & Chen, X. (Creator), 1 Dec 2020
Dataset
Activities
- 1 Hosting a visitor
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Xioami Guo
Xi Chen (Host) & Patrick Rinke (Host)
25 Nov 2019 → 25 Apr 2020Activity: Hosting a visitor types › Hosting a visitor