新闻资讯

新闻资讯

新闻资讯

构建加氢/脱氢反应体系中纳米催化剂的“结构-活性”关系

2021-12-28

在多相催化中，催化剂通常以纳米颗粒的形式存在。根据纳米催化剂的结构准确而快速地预测催化反应活性，构建...
XYG3型双杂化泛函同时实现分子和固体的精准描述

2021-07-20

英文原题：DoublyHybridFunctionalsClosetoChemicalAccuracyforBothFiniteandExtendedSystems:Implementati...
Prof. Dr. Xin Xu has been appointed as the associate editor ...

2020-09-01

JACS Au is a monthly open access multi-disciplinary journal devoted to the publication of manusc...
On the Top Rung of Jacob’s Ladder of Density Functional The...

2020-05-31

According to the classification of Jacob's Ladder proposed by Perdew, density functional approximat...
Identification of Water Hexamer on Cu(111) Surfaces

2020-04-15

While being considered as the building block of ice on a hydrophobic metal surface, the global mini...
NATURAL SCIENCE AWARD 2019

2019-12-10

-2019 Award for Excellence in Scientific Research in Higher Education (Science and Technology), Fi...
The 19th Division for Electronic Structure Theory and Method...

2018-05-05

Prof. Xin Xu, together with Prof. Yi Luo, chaired the 19th division of the 31st CCS Annual Meeting.
PNAS Vol. 115, 2018

2018-02-14

“Doubly hybrid density functionals that correctly describe both density and energy for atoms”, a...
The 181st Shuangqing Forum

2017-06-11

The181stShuangqingForumofNSFCinDalianheldinJune11-13,2017
Masahiro Ehara: Interface Region in Supported Nanocluster Ca...

2017-04-26

Dr.Prof.MasahiroEharafromInstituteforMolecularScience(Japan)willvisitusandgiveusatalkinApr.26,2017Th...
Annu. Rev. Phys. Chem. Vol. 68, 2017

2017-02-22

“DevelopmentofNewDensityFunctionalApproximations”,anewlypublishedpaperonAnnu.Rev.Phys.Chem.Kohn–Sh...

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