Accurate and Interpretable Dipole Interaction Model-Based Machine Learning for Molecular Polarizability, is published on J. Chem. Theory Comput.. Congratulations!
Investigating the Eley–Rideal recombination of hydrogen atoms on Cu (111) via a high-dimensional neural network potential energy surface, is published on Phys. Chem. Chem. Phys.. Congratulations!
A pragmatic protocol for determining charge transfer states of molecules at metal surfaces by constrained density functional theory, is published on J. Chem. Phys., Congratulations!
in collaboration with the Guo group , Short- and Long-Time Dynamics of Hydrogen Spillover from a Single Atom Platinum Active Site to the Cu(111) Host Surface, is published on J. Phys. Chem. C.. Congratulations!
Atomistic neural network representations for chemical dynamics simulations of molecular, condensed phase, and interfacial systems: Efficiency, representability, and generalization, is published on WIREs Comput Mol Sci.. Congratulations!
Stereodynamics of Adiabatic and Non-adiabatic Energy Transfer in a Molecule Surface Encounter, is published on Phys. Chem. Chem. Phys.. Congratulations!
Vibrational Relaxation of Highly Vibrationally Excited Molecules Scattered from Au(111): Role of the Dissociation Barrier, is published on J. Phys. Chem. C, Congratulations!
Mechanism and Dynamics of CO2 Formation in Formic Acid Decomposition on Pt Surfaces, is published on ACS Catal.. Congratulations!
First-Principles Insights into Adiabatic and Nonadiabatic Vibrational Energy-Transfer Dynamics during Molecular Scattering from Metal Surfaces: The Importance of Surface Reactivity, is published on J. Phys. Chem. Lett.. Congratulations!
A PyTorch-based End-to-End Multi-functional Deep Neural Network Package for Molecular, Reactive and Periodic Systems, is published on J. Chem. Phys.. Congratulations!
Influence of supercell size on Gas-Surface Scattering: A case study of CO scattering from Au(111) , is published on Chem. Phys.. Congratulations!
Accurate Machine Learning Prediction of Protein Circular Dichroism Spectra with Embedded Density Descriptors, is published on JACS Au.. Congratulations!
Infrared Activities of Adsorbed Species on Metal Surfaces: The Puzzle of Adsorbed Methyl (CH3）, is published on J. Phys. Chem. Lett.. Congratulations!
Searching Configurations in Uncertainty Space: Active Learning of High-Dimensional Neural Network Reactive Potentials, is published on J. Chem. Theory Comput.， Congratulations!
Mechanical Vibrational Relaxation of NO Scattering from Metal and Insulator Surfaces: When and Why They Are Different, is published on Phys. Rev. Lett., Congratulations!
Coplanar Pt/C Nanomeshes with Ultrastable Oxygen Reduction Performance toward Fuel Cells, is published on Angew. Chem. Int. Ed. Congratulations!
Vibrational State-to-State Scattering of Water from Cu(111): Comparison of Quantum and Quasiclassical Methods with Normal Mode and Adiabatic Switching Sampling, is published on J.Phys.Chem.C, Congratulations!
Accelerating atomistic simulations with piecewise machine-learned ab Initio potentials at a classical force field-like cost, is published on Phys. Chem. Chem. Phys. and featured on the Front Cover. Congratulations!
Determining the Effect of Hot Electron Dissipation on Molecular Scattering Experiments at Metal Surfaces, is published on JACS Au. Congratulations!
Towards bridging the structure gap in heterogeneous catalysis: the impact of defects in dissociative chemisorption of methane on Ir surfaces, is published on Phys. Chem. Chem. Phys., Congratulations!
Determining the Effect of Hot Electron Dissipation on Molecular Scattering Experiments at Metal Surfaces, is published on JACS Au. Congratulations!
Shielded goethite catalyst that enables fast water dissociation in bipolar membranes, is published on Nat. Commun. Congratulations!
Bin visited Prof. Sen Lin at Fuzhou University and gave a talk, Fuzhou
Bin was invited to give a talk in the Symposium on theoretical and computational chemistry for the celebration of the 100th anniversary of the foundation of the Chemistry Department of Nanjing University, Nanjing
Bin visited Prof. Changjian Xie at Northwest University and gave a talk, Xian
Bin visited Prof. Rainer Beck at Ecole Polytechnique Fédérale de Lausanne, Lausanne, Switzerland.
Bin visited Prof. Alec Wodtke at Department of Dynamics at Surfaces, Max-Planck-Institut für biophysikalische Chemie, Göttingen, Germany
Bin gave an invited talk at the International Conference on Theoretical and High Performance Computational Chemistry 2019, Guiyang.
Bin gave an invited talk at the 16th National Conference on Chemical Dynamics,Session 1, Suzhou.
Bin gave an invited talk at the 19th National Conference on Catalysis, Session 1: Catalytic Mechanism, Chongqing.
Bin gave an invited talk at the International Conference on Molecular Energy Transfer in Complex Systems 2019, Hefei.
Bin visited Beijing Normal University and gave an invited talk, Beijing
Bin gave an invited talk in Gordon Research Conference on dynamics at surfaces Newport, USA
Bin visited Shanghai University and gave an invited talk, Shanghai
Bin gave an invited talk in Internal Symposium on Quantum Effects in Chemistry and Biology, at New York University Shanghai, Shanghai
Jialu Chen passed his Master's thesis and received his Master's Degree in phsical chemistry. Congratulations! Hefei
Rrof. Tucker Carrington from Queen's University visited us and gave us a talk, Hefei
Rrof. Maite Alducin from Donostia International Physics Center visited us and gave us a talk, Hefei
Bin visited East China Normal University and gave an invited talk. Shanghai
Rrof. Axel Gross from Ulm University visited us and gave us a talk, Hefei
Bin visited Wuhan Institue of Physics and Mathematics and gave an invited talk, Wuhan
Bin gave an invited talk in the 14th China-Singapore Joint Symposium on Research Frontiers in Physics, Shanghai
Bin gave an invited talk in stereodynamics 2018 conference, Switzerland
Bin gave two invited talks in 31th Annual Conference of the Chinese Chemical Society Jialu and Rongrong won the excellent poster award Hangzhou
Bin gave an invited talk at Mozi Forum held in USTC for young scientists for Complex Systems, Hefei
Bin visited Anhui Normal University and gave a talk, Wuhu
Bin gave an invited talk at the Symposium of Computational Chemistry and Statistical Mechanics for Complex Systems, Fuzhou
Bin gave an invited talk at the International Workshop on Physics of Nanofriction and Tribology, Hefei
Bin gave an invited talk in the ACS Publications Symposium, Innovation in Energy Conversion, Dalian
All members attended the 15th National Conference of Chemical Dynamics, Nanjing. Bin gave an invited talk and Qinghua won the excellent poster award. Congratulations to Qinghua!
All members attended the Symposium of Molecular Reaction Dynamics 2017, Xian. Bin gave an invited talk.
Bin gave an invited talk in the Gordon Research Conference on Surface Dynamics 2017, Newport, RI, USA.
Bin gave a talk in the conference on Dynamics of Molecular Collisions 2017, Tahoe, CA, USA.
We joined the 13th National Conference of Quantum Chemistry in Dalian ! Qinghua Liu and Yaolong Zhang joined the 2017 Summer School on Machine Learning in the
Molecular Sciences in Shanghai.
A joint experimental and theoretical work on Ultrafast Excited-State Dynamics of Cytosine Aza-Derivative and Analogues, with Jinquan Chen, Yongle Li, is published on J. Phys. Chem. A. Good job, Xueyao!
Our work on ab initio molecular dynamics of the scattering of CO2 on Ni(100) surface is published on J. Phys. Chem. C. congratulations to Xueyao and Xuan!
Our work collaborating with Prof. Hua Guo on the first atomic neural network potential energy surface for HCl/Au(111) system and the energy loss during HCl scattering on Au(111) is published on J. Phys. Chem. Lett. Congratulations to Xuan and Xueyao!
Liang Zhang and Yaolong Zhang joined the group to finish their theses for Bachelor degrees. They will become graduate students in our group next year. Welcome!.
Our work on the photodetachment of vinylidene anion in collaboration with the theoretical groups of Jianyi and Prof. H. Guo, and experimental group of D. Neumark is published on J. Am. Chem. Soc. Congratulations to Xueyao!
Bin gave an invited talk in Computational and statistical mechanics in complex system at Shenzhen
Bin gave an invited talk in Stereodynamics 2016 at Taipei,
Qinghua Liu and Rongrong Yin joined the group as graduate students. Welcome!
Our paper collaborating with Prof. Hua Guo on functional dependence of potential energy surface for water dissociative chemisorption is published on Phys. Chem. Chem. Phys.
Our review written with Prof. Jun Li and Prof. Hua Guo on Permutation invariant polynomials PES fitting is published on Int. Rev. Phys. Chem. and featured on the cover,
Our paper collaborating with Prof. Hua Guo on the State-to-State Mode Specificity in F + CHD3 reaction is published on J. Chem. Phys.
Bin gave an invited talk in The 30th Annual Conference of the Chinese Chemical Society at Dalian.
Our paper collaborating with Profs. Hua Guo and Alducin Maite on the electron-hole pair effect in the methane dissociation chemisorption of is published on J. Chem. Phys. Congratulations to Xuan!
Our paper collaborating with Profs. Minghui Yang and Hua Guo on seven-dimensional quantum dynamics of water dissociative chemisorption is published on J. Chem. Phys.
Prof. Hua Guo from University of New Mexico visited us and gave us a talk.
Our paper collaborating with Prof. Hua Guo on steric effect in methane dissociative chemisorption is published on J. Phys. Chem. C.
Bin visited Dalian Institute of Chemical and Physics, Chinese Academy of Sciences and gave a talk.
Our paper collaborating with Prof. Hua Guo on CO2 dissociative chemisorption is published on J. Chem. Phys. (communication) and featured as a cover article.
Our group website is set up, current group members: Xueyao Zhou，Xuan Luo，Yingyue Hong.
