主要研究内容:  量子反应动力学理论和计算方法发展的理论研究工作，以及新型超大功率化学激光的设计和发展。研究工作的特点是侧重基础理论和计算方法的发展和分子动力学新现象的研究，新型烧结材料的设计和激光器原理的发展，并与实验研究紧密合作。在过去研究工作中，孙志刚研究员采用含时量子波包方法，发展了一系列产物量子态分辨的量子反应散射动力学理论。同时，针对求解分子力学的含时薛定谔方程，发展了一些高效率、高精度的数值计算方法，大大扩展了量子含时波包方法的研究对象。

已在国际学术期刊发表SCI收录论文100余篇，其中包括8篇Science论文(其中5篇是共同通讯作者)，2篇Nat. Chem.论文（均为共同通讯），1篇Nat. Commun. 论文，3篇PNAS论文，2篇JACS论文，2篇Phys. Rev. Lett.论文，2篇J. Phys. Chem. Lett. 论文，1篇Rep. Prog. Phys.论文等，另外有2篇专著章节发表。

070203-原子与分子物理
070207-光学
070304-物理化学

分子反应散射动力学
新型化学激光设计
原子分子物理学

2002-11--2004-03   瑞典哥德堡大学   访问学生
2000-09--2005-06   中科院大连化学物理研究所   博士
1996-09--2000-07   大连理工大学   学士

1.  2003~2004  瑞典哥德堡大学 (Gunnar Nyman)
2.  2005~2007  新加坡国立大学 (Donghui Zhang)
3.  2007~2009  新加坡南洋理工大学 (Soo-Ying Lee)
4.  2009~2010  美国杜克大学 (Weitao Yang)

   

（1） 中青年创新领军人才项目支持, 特等奖, 部委级, 2019
（2） 国家自然科学基金杰出青年基金, 特等奖, 部委级, 2018
（3） "张存浩“化学动力学青年科学家奖, 一等奖, 其他, 2015
（4） 万人计划“青年拔尖”人才支持, , 国家级, 2015
（5） 国家自然科学奖 二等奖, 二等奖, 国家级, 2015
（6） 辽宁省自然科学奖 一等奖, 一等奖, 省级, 2014
（7） 第五届大连市青年科技奖, 特等奖, 市地级, 2013
（8） 第一届唐敖庆青年理论化学家奖, 特等奖, 专项, 2013
（9） 国家自然科学基金委 优秀青年基金, 特等奖, 部委级, 2012
（10） 中国百篇优秀科技论文奖, , 国家级, 2007
（11） 中科院优秀博士论文, , 院级, 2006
（12） 院长优秀奖, , 院级, 2004
（13） 大连化学物理研究所人才贡献奖, , 研究所（学校）, 2004

   

（1） Quantum wavepacket method for state-to-state reactive cross sections in hyperspherical coordinates, J. Chem. Phys., 2019, 通讯作者
（2） Coherent interference of molecular electronic states in NO by two-color femtosecond laser pulses, Phys. Rev. A, 2019, 第 7 作者
（3） Observation of the geometric phase effectintheH+HD→H2 +Dreaction, Science, 2018, 通讯作者
（4） Direct observation of forward-scattering oscillations in the H+HD→H2+D reaction, Nature Chemistry, 2018, 通讯作者
（5） A new potential energy surface of the OH2+ system and state-to-state quantum dynamics studies of the O+ + H reaction, PCCP, 2018, 通讯作者
（6） Dynamical resonances in F + H2∕HD reaction scattering, Theo. Acc. Chem., 2018, 通讯作者
（7） Dynamical resonances in chemical reactions, Chem. Soc. Rev., 2018, 通讯作者
（8） Quantum real wave packet method by using spectral difference for a triatomic reactive scattering, Chem. Phys., 2018, 通讯作者
（9） A review of dynamical resonances in A+BC chemical reactions, Report on Progress in Physics, 2017, 第 1 作者
（10） Launching Phonon Polaritons by Natural Boron Nitride Wrinkles with Modifiable Dispersion by Dielectric Environments, Adv. Mat., 2017, 第 5 作者
（11） An Exact Propagator for Solving the Triatomic Reactive Schrödinger Equation, Chin. J. Chem. Phys., 2017, 通讯作者
（12） A reactant-coordinate-based wave packet method for full-dimensional state-to-state quantum dynamics of tetra-atomic reactions: Application to both the abstraction and exchange channels in the H+ H2O reaction, Journal of Chemical Physics, 2016, 第 2 作者
（13） Hermiticity of Hamiltonian Matrix using the Fourier Basis Sets in Bond-Bond-Angle and Radau Coordinate, Chin. J. Chem. Phys, 2016, 通讯作者
（14） State-to-state differential cross sections for D2 + OH → D plus DOH reaction: Influence of vibration excitation of OH reactant, The Journal of Chemical Physics, 2016, 通讯作者
（15） A reactant-coordinate-based approach to state-to-state differential cross sections for tetratomic reactions, The Journal of Chemical Physics, 2016, 通讯作者
（16） State-to-state mode selectivity in the HD plus OH reaction: Perspectives from two product channels, The Journal of Chemical Physics, 2016, 第 2 作者
（17） Calculated vibrational states of ozone up to dissociation, The Journal of Chemical Physics, 2016, 第 5 作者
（18） An improved Lobatto discrete variable representation by a phase optimisation and variable mapping method, Chemical Physics, 2015, 通讯作者
（19） Effect of Reagent Rotational Excitation on Dynamics of F+H2→HF+H, Chin. J. Chem. Phys, 2015, 通讯作者
（20） State-to-State Mode Specificity: Energy Sequestration and Flow Gated by Transition State, Journal of the American Chemical Society, 2015, 第 2 作者
（21） Theoretical Study of FH−2 Electron Photodetachment Spectra on New Ab Initio Potential Energy Surfaces, Journal of Physical Chemistry A, 2015, 通讯作者
（22） Effect of Reagent Vibrational Excitation on the Dynamics of F + H2(v = 1, j = 0) → HF(v′, j′) + H Reaction, Journal of Physical Chemistry A, 2015, 通讯作者
（23） State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal, The Journal of Chemical Physics, 2015, 第 2 作者
（24） Quantum Dynamics of Li+HF/DF Reaction Investigated by a State-to-State Time-dependent Wave Packet Approach, Chin. J. Chem. Phys, 2015, 通讯作者
（25） Extremely short-lived reaction resonances in Cl plus HD (v=1) → DCl plus H due to chemical bond softening, Science, 2015, 通讯作者
（26） Accurate mapped trigonometric discrete variable representations for Coulomb singularities in molecules: Applications with H-2(+) and H-2 in cylindrical coordinates, Chem. Phys. Lett., 2015, 通讯作者
（27） State-to-state reaction dynamics of 18O+32O2 studied by a time-dependent quantum wavepacket method, J. Chem. Phys., 2015, 通讯作者
（28） H + H2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: Validation of the density functionals, J. Chem. Phys., 2015, 第 3 作者
（29） Development of the Potential Energy Surface and Current Stage of the Quantum Dynamics Studies of the F + H2/HD Reaction, Int. J. Quan. Chem., 2015, 通讯作者
（30） Kinetic isotope effect of the 16O + 36O2 and 18O + 32O2 isotope exchange reactions: Dominant role of reactive resonances revealed by an accurate time-dependent quantum wavepacket study, J. Chem. Phys., 2015, 通讯作者
（31） Product fine-structure resolved photodissociation dynamics: The A band of H2O, J. Chem. Phys., 2014, 第 3 作者
（32） Calculation of state-to-state cross sections for triatomic reaction by the multi-configuration time-dependent Hartree method, J. Chem. Phys., 2014, 通讯作者
（33） Coriolis coupling effect of state-to-state quantum dynamics for He + HeH+, Theo. Chem. Acc., 2014, 通讯作者
（34） Rigorous quantum dynamics of O + O2 exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients, J. Chem. Phys., 2014, 通讯作者
（35） Isotope-Dependent Rotational States Distributions Enhanced by Dynamic Resonance States: A Comparison Study of the F plus HD→ HF(VHF=2) + D and F + H2 →HF(VHF=2) + H Reaction, J. Phys. Chem. Lett., 2014, 通讯作者
（36） Calculation of the state-to-state S-matrix for tetra-atomic reactions with transition-state wave packets: H2/D2 + OH → H/D + H2O/HOD, J. Chem. Phys., 2014, 通讯作者
（37） Efficient Fourth-Order Split Operator for Solving the Triatomic Reactive Schrodinger Equation in the Time-Dependent Wavepacket Approach, J. Phys. Chem. A, 2014, 通讯作者
（38） Time-dependent quantum wave packet and quasiclassical trajectory studies of the Au(S2) + H2(X1∑+g) → AuH(X1∑+g) + H(S2) reaction, Mol. Phys., 2014, 第 4 作者
（39） Asymmetry of Photoelectron Angular Distributions in Molecules by Intense Attosecond Extreme Ultraviolet Laser Pulses, Chinese J. Chem. Phys., 2014, 通讯作者
（40） Autler-Townes Effects in Attosecond Circular Polarization Molecular Photoionization, J. Phys. Conf. Series, 2014, 通讯作者
（41） Time-dependent wave packet state-to-state dynamics of H/D+HCl/DCl reactions, J. Chem. Phys., 2013, 通讯作者
（42） State-to-state quantum dynamics of the F+HCl (v(i)=0, j(i)=0) --- HF(v(f), j(f))+Cl reaction on the ground state potential energy surface, PCCP, 2013, 通讯作者
（43） Dynamical Resonances Accessible Only by Reagent Vibrational Excitation in the F + HD →HF + D Reaction, Science, 2013, 通讯作者
（44） Mapped Finite Element Discrete Variable Representation, Chinese J. Chem. Phys., 2013, 通讯作者
（45） Propagators for Solving Schrodinger Equation by Wave Packet Based Method: Application of Higher Order Operator Splitting Schemes to Triatomic Reactive Scattering Calculations, PCCP, 2012, 第 1 作者
（46） Quantum state-to-state dynamics for the quenching process of Br(P-2(1/2)) + H-2(v(i)=0, 1, j(i)=0), J. Chem. Phys., 2012, 通讯作者
（47） Molecular Conformations and Dynamics on Surfaces of Gold Nanoparticles Probed with Multiple-Mode Multiple-Dimensional Infrared Spectroscopy, J. Phys. Chem. C, 2012, 通讯作者
（48） Quantum theory of time-resolved femtosecond stimulated Raman spectroscopy: direct versus cascade processes and application to CDCl3, J. Chem. Phys, 2011, 第 2 作者
（49） An Exact Short-time Solver for the Time-dependent Schrodinger Equation, J. Chem. Phys , 2011, 第 1 作者
（50） Quantum and quasiclassical state-to-state dynamics of the NH + H reaction: Competition between abstraction and exchange channels, J. Chem. Phys , 2011, 通讯作者
（51） Mapping Molecular Conformations with Multiple-Mode Two-Dimensional Infrared Spectroscopy, J. Phys. Chem. A, 2011, 第 4 作者
（52） Adiabatic and nonadiabatic bond cleavages in Norrish type I reaction, J. Phys. Chem. A, 2011, 第 2 作者
（53） Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD + OH → H2O + D, Science, 2011, 通讯作者
（54） State-to-state quantum dynamics of O + O2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions, Proceedings of the National Academy of Sciences USA , 2010, 第 1 作者
（55） Time-dependent Wave Packet Investigation of the State-to-state Reactive Scattering of Cl with para-H2 Including the Open-shell Character of the Cl( ) atom, J. Chem. Phys., 2010, 第 1 作者
（56） Extraction of state-to-state reactive scattering attributes from wave packet in reactant Jacobi coordinates, J. Chem. Phys, 2010, 第 1 作者
（57） State-to-state quantum dynamics of the O+OH→H+O2 reaction, J. Chem. Phys., 2010, 第 4 作者
（58） Analysis of Femtosecond Stimulated Raman Spectroscopy of Excited-State Evolution in Bacteriorhodopsin, J. Chem. Phys., 2010, 第 3 作者
（59） Theoretical investigation of the Direct Observation of Anharmonic Coupling in the Time Domain with Femtosecond Stimulated Raman scattering: Case of CDCl3, J. Chem. Phys. , 2009, 第 1 作者
（60） A Reactant-Coordinate-Based Time-Dependent Wave Packet Method for Triatomic State-to-State Reaction Dynamics: Application to the H + O2 Reaction, J. Phys. Chem. A, 2009, 第 1 作者
（61） Comparison of Second-order Split Operator and Chebyshev Propagator in Wave Packet Based State-to-state Reactive Scattering Calculations, J. Chem. Phys., 2009, 第 1 作者
（62） NH( )+H/D( ) H ( )+NH/ND( ) Exchange Reaction: State-to-state Quantum Scattering and Applicability of Statistical Model, J. Chem. Phys., 2009, 第 1 作者
（63） Fully Coriolis-coupled quantum studies of the H + O2 (vi = 0-2, ji = 0,1) →OH + O reaction on an accurate potential energy surface: Integral cross sections and rate constants,  J. Phys. Chem. A, 2008, 第 2 作者
（64） Quantum Theory of Time-resolved (Femtosecond) stimulated Raman Spectroscopy, J. Chem. Phys., 2008, 第 1 作者
（65） HF(v= 3) forward scattering in the F + H2 reaction: Shape resonance and slow-down mechanism, Proceedings of the National Academy of Sciences USA, 2008, 通讯作者
（66） Probing the resonance potential in the F atom reaction with hydrogen deuteride with spectroscopic accuracy, Proceedings of the National Academy of Sciences USA, 2008, 通讯作者
（67） Three-state model for femtosecond broadband Stimulated Raman Scatterin, J. Raman. Spectr., 2008, 第 1 作者
（68） State-to-state dynamics of H + O2 reaction, evidence for non-statistical behaviors, J. Am. Chem. Soc., 2008, 第 1 作者
（69） The extent of non-Born-Oppenheimer coupling in the reaction of Cl(2P) with, Science, 2008, 第 1 作者
（70） The application of Bessel discrete variable representation to atomic hydrogen in intense laser fields, J. Theoretical. Comp. Chem., 2007, 第 2 作者
（71） Time-depend quantum wave packet study of F+HCl/DCl reactions, Chinese J. Chem. Phys., 2007, 第 1 作者
（72） Wave packet theory of dynamics stimulated Raman spectra in femtosecond pump-probe spectroscopy, J. Chem. Phys., 2007, 第 1 作者
（73） Observation of Feshbach resonances in the F+H2 HF+H reaction, Science, 2006, 通讯作者
（74）  Molecular photoelectron spectrum in ultrashort laser fields: Autler-Townes splitting under rotational and aligned effects, Physical Review A, 2006, 第 2 作者
（75）  Selective vibrational population transfer between electronic states of the Na2 molecule with ultrashort laser pulses,  Chem. Phys., 2006, 第 3 作者
（76） Photodissociation dynamics of CF3I investigated by two-color femtosecond laser pulses, Euro. Phys. J. D., 2006, 第 2 作者
（77） Probing Feshbach resonances in F+H2(j=1) HF+H: Dynamical effect of single quantum H2-rotation, J. Chem. Phys., 2006, 通讯作者
（78） Molecular dynamics and control following excitation with an ultra-short intense laser pulse, Chem. Phys., 2005, 第 1 作者
（79） absorption and Raman Spectra of the OClO molecule: A 3D Time-dependent Wavepacket Study,  J. Chem. Phys., 2005, 第 1 作者
（80） Three-dimensional time-dependent wave-packet calculations of OBrO absorption spectra, Journal of Chemical Physics, 2005, 第 2 作者
（81） Steering wave packet dynamics and population transfer between electronic states of the Na2 molecule by femtosecond laser pulses, Chemical Physics, 2005, 第 2 作者
（82） On using Fourier series and Legendre polynomials as angular basis sets for nonrotating triatomic molecules, Chemical Physics Letters, 2005, 第 2 作者
（83） Selective excitation of the OClO molecule with femtosecond laser pulse, Physical Review A, 2005, 第 2 作者
（84） Time-Dependent Wave Packet Split Operator Calculations on a Three-Dimensional Fourier Grid in Radau Coordinates Applied to the OClO Photoelectron Spectrum,  J. Phys. Chem. A, 2004, 第 1 作者
（85） Femtosecond pump-probe photodissociation of OClO: direct observation of the 2A1 state and the role of accidental multiphoton resonance, Chem. Phys. Lett., 2004, 第 1 作者
（86） Autler-Townes Splitting in the Multiphoton Resonance Ionization Spectrum of Molecules Produced by Ultrashort Laser Pulses, Phys. Rev. Lett., 2003, 第 1 作者
（87） Selecting ionization path by dynamic stark shift with strong laser pulse, Chem. Phys. Lett. , 2003, 第 1 作者
（88） Control of chemical reaction in high-intensity laser field, Chinese Journal of Chemical Physics, 2002, 第 1 作者
（89） A Novel Ionization Path of Nitric Oxide: Resonance, Not Perturbation, Plays a Role, ChemPhysChem, 2002, 第 1 作者

（1） 基于量子波包理论的飞秒拉曼光谱, WAVE PACKET ANALYSIS OF FEMTOSECOND STIMULATED RAMAN SPECTROSCOPY, WorldScientific, 2011-06, 第 3 作者
（2） 反应散射共振, Reactive Scattering and Resonance, Spring, 2013-07, 第 1 作者

   

（ 1 ） 优秀博士学位论文、院长奖获得者科研启动专项资金 , 主持, 部委级, 2011-01--2012-12
（ 2 ） 重点项目启动基金, 主持, 市地级, 2010-06--2013-06
（ 3 ） O+O2反应动力学的研究, 主持, 国家级, 2012-01--2014-12
（ 4 ） 国家自然科学基金 重点基金, 参与, 国家级, 2012-01--2016-12
（ 5 ） 原子分子量子动力学, 主持, 国家级, 2013-01--2015-12
（ 6 ） 973, 参与, 国家级, 2014-01--2019-12
（ 7 ） 复杂多原子反应体系的态-态量子动力学研究, 参与, 国家级, 2018-01--2022-12
（ 8 ） 分子反应动力学（国家杰出青年基金项目）, 主持, 国家级, 2019-01--2023-12
（ 9 ） 中组部中青年创新领军人才计划, 主持, 国家级, 2019-01--2021-12

1. 南京大学 谢代前教授
2. University of New Mexico, 郭华教授
3. University of Maryland, Millard Alexander 教授 
4. University of Nanyang Technology, Soo-Ying Lee教授 
5. Rice University, Junrong Zheng教授

已指导学生

李学明  博士研究生  070304-物理化学  

现指导学生

陈伟  博士研究生  070203-原子与分子物理  

史海梅  博士研究生  070203-原子与分子物理  

王然生  博士研究生  070203-原子与分子物理  

赵英岐  硕士研究生  070203-原子与分子物理  

陈群  博士研究生  070203-原子与分子物理