The Center for Computation and Theory of Soft Material

Fingerprint The fingerprint is based on mining the text of the scientific documents related to the associated persons. Based on that an index of weighted terms is created, which defines the key subjects of research unit

Molecular dynamics Chemical Compounds
Water Chemical Compounds
Polyelectrolytes Chemical Compounds
Ionic Liquids Chemical Compounds
Ions Chemical Compounds
molecular dynamics Physics & Astronomy
Computer simulation Chemical Compounds
simulation Physics & Astronomy

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Profiles

No photo of Baofu Qiao
20042019

Research Output 2004 2019

Ion association with tetra-n-alkylammonium cations stabilizes higher-oxidation-state neptunium dioxocations

Estes, S. L., Qiao, B. & Jin, G. B., Dec 1 2019, In : Nature communications. 10, 1, 59.

Research output: Contribution to journalArticle

Open Access
Neptunium
neptunium
Cations
Association reactions
Ions

"Mirror"-like Protein Dimers Stabilized by Local Heterogeneity at Protein Surfaces

Qiao, B., Lopez, L. & Olvera de la Cruz, M., May 9 2019, In : Journal of Physical Chemistry B. 123, 18, p. 3907-3915 9 p.

Research output: Contribution to journalArticle

Dimers
Membrane Proteins
Mirrors
dimers
mirrors
2 Citations (Scopus)

All-Atom Molecular Dynamics Study of Water-Dodecane Interface in the Presence of Octanol

Qiao, B. & Jiang, W., Jan 11 2018, In : Journal of Physical Chemistry C. 122, 1, p. 687-693 7 p.

Research output: Contribution to journalArticle

Octanols
Molecular dynamics
molecular dynamics
Atoms
Water