#Zhigang Shuai

Coarse-grained molecular dynamics simulations of photoswitchable assembly and disassembly

帅志刚课题组 , 清华大学

First-principles prediction of charge mobility in carbon and organic nanomaterials

帅志刚课题组 , 清华大学

Water Transport and Purification in Nanochannels Controlled by Asymmetric Wettability

帅志刚课题组 , 清华大学

Understanding Lattice Strain-Controlled Charge Transport in Organic Semiconductors: A Computational Study

帅志刚课题组 , 清华大学

Computational Evaluation of Optoelectronic Properties for Organic/Carbon Materials

帅志刚课题组 , 清华大学

Thermoelectrics: Tuning Thermal Transport in Chain-Oriented Conducting Polymers for Enhanced Thermoelectric Efficiency: A Computational Study (Adv. Funct. Mater. 40/2017)

帅志刚课题组 , 清华大学

Erratum: Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Perovskites Predicted from First-Principles

帅志刚课题组 , 清华大学

Computational characterization of organic photovoltaic devices

帅志刚课题组 , 清华大学

Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Perovskites Predicted from First-Principles

帅志刚课题组 , 清华大学

First-principles investigation of organic semiconductors for thermoelectric applications

帅志刚课题组 , 清华大学

Modeling thermoelectric transport in organic materials

帅志刚课题组 , 清华大学

Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions

帅志刚课题组 , 清华大学

Aggregation induced blue-shifted emission – the molecular picture from a QM/MM study

帅志刚课题组 , 清华大学

Theoretical study on the aggregation induced emission

帅志刚课题组 , 清华大学

Toward Quantitative Prediction of Charge Mobility in Organic Semiconductors: Tunneling Enabled Hopping Model

帅志刚课题组 , 清华大学

Vibration correlation function formalism of radiative and non-radiative rates for complex molecules

帅志刚课题组 , 清华大学

ChemInform Abstract: Computational Methods for Design of Organic Materials with High Charge Mobility

帅志刚课题组 , 清华大学

From electronic excited state theory to the property predictions of organic optoelectronic materials

帅志刚课题组 , 清华大学

Negative isotope effect for charge transport in acenes and derivatives – a theoretical conclusion

帅志刚课题组 , 清华大学

Computational methods for design of organic materials with high charge mobility

帅志刚课题组 , 清华大学

Excited states structure and processes: Understanding organic light-emitting diodes at the molecular level

帅志刚课题组 , 清华大学

Spectral Signature of Intrachain and Interchain Polarons in Donor-Acceptor Copolymers

帅志刚课题组 , 清华大学

Unraveling the aggregation effect on amorphous phase AIE luminogens: a computational study

帅志刚课题组 , 清华大学

Organic light-emitting diodes: theoretical understanding of highly efficient materials and development of computational methodology

帅志刚课题组 , 清华大学

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