Weiwei Xie

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 24

Top Topics

Molecular Dynamics Simulations

Top Venues

Journal of the American Chemical Society

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Till Johann, Weiwei Xie, Sara Roosta, Marcus Elstner, Martijn Kemerink
Theory for nonlinear conductivity switching in semiconducting organic ferroelectrics. Physical chemistry chemical physics : PCCP (2024)
Farhad Ghalami, Philipp M Dohmen, Mila Krämer, Marcus Elstner, Weiwei Xie
Nonadiabatic Simulation of Exciton Dynamics in Organic Semiconductors Using Neural Network-Based Frenkel Hamiltonian and Gradients. Journal of chemical theory and computation (2024)
Till Johann, Weiwei Xie, Sara Roosta, Marcus Elstner, Martijn Kemerink
Theory for nonlinear conductivity switching in semiconducting organic ferroelectrics. Physical chemistry chemical physics : PCCP 26 (27) (2024)
Farhad Ghalami, Philipp M Dohmen, Mila Krämer, Marcus Elstner, Weiwei Xie
Nonadiabatic Simulation of Exciton Dynamics in Organic Semiconductors Using Neural Network-Based Frenkel Hamiltonian and Gradients. Journal of chemical theory and computation 20 (14) (2024)
Qiu Zhang, Yong Lu, Xiaomeng Liu, Weiwei Xie, Jun Chen
Nonaggregated Anions Enable the Undercooled Aqueous Electrolyte for Low-Temperature Applications. Journal of the American Chemical Society (2024)
Lan-Qing Wu, Zhe Li, Zhen-Yu Fan, Kun Li, Jia Li, Dubin Huang, Aijun Li, Yang Yang, Weiwei Xie, Qing Zhao
Unveiling the Role of Fluorination in Hexacyclic Coordinated Ether Electrolytes for High-Voltage Lithium Metal Batteries. Journal of the American Chemical Society 146 (9) (2024)
Qiu Zhang, Yong Lu, Xiaomeng Liu, Weiwei Xie, Jun Chen
Nonaggregated Anions Enable the Undercooled Aqueous Electrolyte for Low-Temperature Applications. Journal of the American Chemical Society 146 (18) (2024)
Qiu Zhang, Xiaomeng Liu, Yong Lu, Youxuan Ni, Weiwei Xie, Zhenhua Yan, Fujun Li, Jun Chen
Sustainable Aqueous Batteries Based on Bipolar Dissociation of Aluminum Hydroxyacetate Electrolyte. Journal of the American Chemical Society (2024)
Qiu Zhang, Xiaomeng Liu, Yong Lu, Youxuan Ni, Weiwei Xie, Zhenhua Yan, Fujun Li, Jun Chen
Sustainable Aqueous Batteries Based on Bipolar Dissociation of Aluminum Hydroxyacetate Electrolyte. Journal of the American Chemical Society 146 (8) (2024)
Lan-Qing Wu, Zhe Li, Zhen-Yu Fan, Kun Li, Jia Li, Dubin Huang, Aijun Li, Yang Yang, Weiwei Xie, Qing Zhao
Unveiling the Role of Fluorination in Hexacyclic Coordinated Ether Electrolytes for High-Voltage Lithium Metal Batteries. Journal of the American Chemical Society (2024)
Philipp M Dohmen, Mila Krämer, Patrick Reiser, Pascal Friederich, Marcus Elstner, Weiwei Xie
Modeling Charge Transport in Organic Semiconductors Using Neural Network Based Hamiltonians and Forces. Journal of chemical theory and computation (2023)
Ali Deniz Özdemir, Samaneh Inanlou, Franz Symalla, Weiwei Xie, Wolfgang Wenzel, Marcus Elstner
Dynamic Effects on Hole Transport in Amorphous Organic Semiconductors: a Combined QM/MM and kMC Study. Journal of chemical theory and computation (2023)
Yong Lu, Zhuo Yang, Qiu Zhang, Weiwei Xie, Jun Chen
Regulating Electrostatic Interaction between Hydrofluoroethers and Carbonyl Cathodes toward Highly Stable Lithium-Organic Batteries. Journal of the American Chemical Society 146 (1) (2023)
Yong Lu, Zhuo Yang, Qiu Zhang, Weiwei Xie, Jun Chen
Regulating Electrostatic Interaction between Hydrofluoroethers and Carbonyl Cathodes toward Highly Stable Lithium-Organic Batteries. Journal of the American Chemical Society (2023)
Zongsu Han, Runhao Zhang, Jialong Jiang, Zhonghang Chen, Youxuan Ni, Weiwei Xie, Jun Xu, Zhang Zhang, Jun Chen, Peng Cheng, Peng Cheng
High-Efficiency Lithium-Ion Transport in a Porous Coordination Chain-Based Hydrogen-Bonded Framework. Journal of the American Chemical Society (2023)
Zongsu Han, Runhao Zhang, Jialong Jiang, Zhonghang Chen, Youxuan Ni, Weiwei Xie, Jun Xu, Zhang Zhang, Jun Chen, Peng Cheng, Peng Cheng
High-Efficiency Lithium-Ion Transport in a Porous Coordination Chain-Based Hydrogen-Bonded Framework. Journal of the American Chemical Society 145 (18) (2023)
Samaneh Inanlou, Rodrigo Cortés-Mejía, Ali Deniz Özdemir, Sebastian Höfener, Wim Klopper, Wolfgang Wenzel, Weiwei Xie, Marcus Elstner
Understanding excited state properties of host materials in OLEDs: simulation of absorption spectrum of amorphous 4,4-bis(carbazol-9-yl)-2,2-biphenyl (CBP). Physical chemistry chemical physics : PCCP 24 (7) (2022)
Sara Roosta, Farhad Ghalami, Marcus Elstner, Weiwei Xie
Efficient Surface Hopping Approach for Modeling Charge Transport in Organic Semiconductors. Journal of chemical theory and computation 18 (3) (2022)
Ritesh Haldar, Mariana Kozlowska, Michael Ganschow, Samrat Ghosh, Marius Jakoby, Hongye Chen, Farhad Ghalami, Weiwei Xie, Shahriar Heidrich, Yusuke Tsutsui, Jan Freudenberg, Shu Seki, Ian A Howard, Bryce S Richards, Uwe H F Bunz, Marcus Elstner, Wolfgang Wenzel, Christof Wöll
Interplay of structural dynamics and electronic effects in an engineered assembly of pentacene in a metal-organic framework. Chemical science 12 (12) (2021)
Maxim F Gelin, Xiang Huang, Weiwei Xie, Lipeng Chen, Nadja Došlić, Wolfgang Domcke
Ab Initio Surface-Hopping Simulation of Femtosecond Transient-Absorption Pump-Probe Signals of Nonadiabatic Excited-State Dynamics Using the Doorway-Window Representation. Journal of chemical theory and computation 17 (4) (2021)
Xiang Huang, Weiwei Xie, Nadja Došlić, Maxim F Gelin, Wolfgang Domcke
Ab Initio Quasiclassical Simulation of Femtosecond Time-Resolved Two-Dimensional Electronic Spectra of Pyrazine. The journal of physical chemistry letters 12 (48) (2021)
Weiwei Xie, Daniel Holub, Tomáš Kubař, Marcus Elstner
Performance of Mixed Quantum-Classical Approaches on Modeling the Crossover from Hopping to Bandlike Charge Transport in Organic Semiconductors. Journal of chemical theory and computation 16 (4) (2020)
Mila Krämer, Philipp M Dohmen, Weiwei Xie, Daniel Holub, Anders S Christensen, Marcus Elstner
Charge and Exciton Transfer Simulations Using Machine-Learned Hamiltonians. Journal of chemical theory and computation 16 (7) (2020)
Xiaojuan Pang, Chenwei Jiang, Weiwei Xie, Wolfgang Domcke
Photoinduced electron-driven proton transfer from water to an N-heterocyclic chromophore: nonadiabatic dynamics studies for pyridine-water clusters. Physical chemistry chemical physics : PCCP 21 (26) (2019)