基本信息
孙志刚  男  博导  中国科学院大连化学物理研究所
电子邮件: zsun@dicp.ac.cn
通信地址: 大连市中山路457号,1102组
邮政编码: 116023

研究领域

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8Science论文(其中5篇是共同通讯作者)2Nat. Chem.论文(均为共同通讯),1Nat. Commun论文,3PNAS论文,2JACS论文,2Phys. Rev. Lett.论文,2J. Phys. Chem. Lett. 论文,1Rep. Prog. Phys.论文等,另外有2篇专著章节发表。

招生信息

招生专业
070203-原子与分子物理
070207-光学
070304-物理化学
招生方向
分子反应散射动力学
新型化学激光设计
原子分子物理学

教育背景

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
出国学习工作
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)

工作经历

 研究工作的主要内容是发展现代原子分子量子动力理论计算方法,包括发展化学反应动力学的各种理论和计算方法,以及发展模拟激光脉冲作用下的原子和分子量子动力学过程的理论。他在原子分子动力学理论计算领域和气象小分子反应散射动力学领域的研究上,取得了系列性的重要研究成果。他的研究工作将反应产物量子态分辨的化学反应动力学理论研究推到了前所未有的高度,并通过与实验研究人员的合作,在化学动力学研究领域获得了一系列突破。发表SCI收录的论文100余篇,其中包括Science文章8篇(5篇共同通讯), Nat. Chem.文章2篇(均为共同通讯),PNAS文章3篇,PRL文章1篇,JACS文章2篇等。

最近的研究工作,还包括对产物量子态水平上对化学反应过程的深层次的理解,求解薛定谔方程新方法的发展,新型烧结材料的研发和新型高能化学激光器的设计上。此新型固气结合的化学激光,最近几年即可实现,其最终有望消灭大规模杀伤武器。

获得的主要项目和支持,有

2012年的国家自然科学基金委“优秀”青年基金项目“量子原子分子动力学”(2013.1-2015.12), 

2018年的国家自然科学基金委“杰出”青年基金项目“分子反应动力学”(2018.1-2021.12) 

2015年的中组部“万人计划”青年拔尖人才支持,

2018年的中组部中青年创新领军人才支持, 

2017年共同主持的国家自然科学基金委重点项目“复杂多原子体系态-态量子动力学研究” (2018.1-2022.12), 

2012年共同主持的国家自然科学基金委重点项目“分子光解过程态-态动力学的理论和实验研究” (2012.1-2016.12)。

另外,学术上获得2013年“唐敖庆”青年理论化学家奖和2015年的“张存浩”化学动力学青年科学家奖等。

从化学角度来说,所从事的研究是在最微观层次上揭示化学反应的动力学过程。比如说,观察每个原子核在化学反应中的动力学图像或者影像、在最精细的量子态分辨(转动态分辨)的层次上研究化学反应,是利用量子力学原理,研究化学反应的动态图像和机理。

从物理角度来说,是在已知原子核之间相互作用力(也就是通常所谓的势能面)的基础上,求解已知势能的描述反应散射过程的薛定谔方程。某种意义上来说,是几个或者一些小球,在确定势能的影响下,重新组合的一个过程。也就是,涉及到化学键断裂和形成的原子核的动力学过程。研究这些化学动力学过程中的量子效应,比如说,零点能效应,隧穿效应和量子力学物质干涉的本质等等,从化学反应的角度揭示量子力学的本质。

从数学角度来说,就是发展求解描述化学反应的偏微分方程的数值方法的一个研究。发展相应的谱方法和谱限元方法,发展基于不同坐标描述化学反应散射过程的哈密顿算符,发展高效的高维积分方法,基于量子力学原理求解薛定谔方程,以便来有效的计算多原子分子的反应散射过程。我们知道,采用谱方法求解偏微分方程,随着自由度的增加,计算量是呈指数性增长的。数值方法的高效性,对于能否开展特定体系的反应动力学研究是至关重要的。

目前的研究内容的特点,可以说,通俗点,和以前该领域的任何前人都不太类似,或者,高雅点,独树一帜。以发展理论计算方法为主,研究具体化学反应体系为辅,同时和目前世界最高水平的交叉分子束实验紧密合作,互相促进,共同发展。在此基础上,研发新型高能化学激光器。

高效理论计算方法的发展,意味着这些完美结果的得到并不容易平凡,我们的研究可以从源头走在别人的前面。利用高效的理论计算模型,可以获得深层次的化学反应动力学过程的理解,有助于从原理上设计新型化学激光泵浦过程。

对口的基础课程应该是:量子力学 / 量子化学 / 原子分子物理分子光谱光学与原子分子物理,化学动力学,计算物理/数学物理,数值方法,谱方法(Spectral Method)

必备的基本技能应该是:C/Fortran语言编程,并行计算技巧,程序高效运行的编程技巧和方法,Python语言编程

可以参考知乎上的文章:https://zhuanlan.zhihu.com/p/28482195


工作简历
2017-01~现在, 中科院大连化学物理研究所, 分子反应动力学国家重点实验室副主任
2011-07~现在, 中科院大连化学物理研究所, 研究员,博导
2010-06~2011-06,中科院大连化学物理研究所, 副研究员
2009-04~2010-06,美国杜克大学, 博士后
2006-08~2009-03,新加坡南洋理工大学, 博士后
2005-03~2006-07,新加坡国立大学, 博士后

专利与奖励

   
奖励信息
(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
专利成果
[1] 汪涛, 肖春雷, 孙志刚, 张东辉, 杨学明. 一种增大化学激光粒子数反转的装置及其操作方法. CN: CN106785879A, 2017-05-31.

出版信息

   
发表论文
(1) Mechanism of Aggregation-Induced Emission, ACTA PHYSICO-CHIMICA SINICA, 2022, 通讯作者
(2) 为什么有机分子在溶液中会因聚集而发光?, Mechanism of Aggregation-Induced Emission, 物理化学学报, 2022, 第 1 作者
(3) Interaction-Asymptotic Region Decomposition Method for a Triatomic Reactive Scattering with Symmetry Adoption, JOURNAL OF PHYSICAL CHEMISTRY A, 2021, 通讯作者
(4) Interaction-Asymptotic Region Decomposition Method for an Insertion Reaction: Application to the S(D-1) + H-2 Reaction, JOURNAL OF PHYSICAL CHEMISTRY A, 2021, 通讯作者
(5) 化学反应是如何发生的--在量子态水平探索化学反应动态过程, 前沿科学, 2021, 第 2 作者
(6) Quantum interference between spin-orbit split partial waves in the F plus HD -> HF plus D reaction, SCIENCE, 2021, 通讯作者
(7) 应用于量子含时波包方法的高精度透明边界条件, High-Accurate Transparent Boundary Conditions for Time-Dependent Quantum Wave Packet Method, 化学物理学报, 2020, 第 9 作者
(8) Experimental and Theoretical Study of the Vibrationally Excited Reaction Cl + D-2 (v=1, j=0) -> DCl plus D, JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 第 5 作者
(9) Observation of the geometric phase effect in the H+HD→H 2 +D reaction below the conical intersection, NATURE COMMUNICATIONS, 2020, 通讯作者
(10) High-accurate transparent boundary conditions for time-dependent quantum wave packet method(dagger), CHINESE JOURNAL OF CHEMICAL PHYSICS, 2020, 通讯作者
(11) Quantum interference in H plus HD -> H-2 + D between direct abstraction and roaming insertion pathways, SCIENCE, 2020, 通讯作者
(12) 应用于量子含时波包方法的高精度透明边界条件(英文), CHINESE JOURNAL OF CHEMICAL PHYSICS, 2020, 第 5 作者
(13) Imaging the State-to-State Dynamics of the H + D-2 -> HD plus D Reaction at 1.42 eV, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2020, 第 7 作者
(14) Quantum interference in H + HD → H2 + D between direct abstraction and roaming insertion pathways, science, 2020, 通讯作者
(15) Coherent interference of molecular electronic states in no by two-color femtosecond laser pulses, PHYSICAL REVIEW A, 2019, 第 7 作者
(16) 用Sin-DVR方法求解在绝热表象下锥形交叉分子振动本征态, Numerical Convergence of the Sinc Discrete Variable Representation for Solving Molecular Vibrational States with a Conical Intersection in Adiabatic Representation, CHINESE JOURNAL OF CHEMICAL PHYSICS, 2019, 通讯作者
(17) An interaction-asymptotic region decomposition method for general state-to-state reactive scatterings, JOURNAL OF CHEMICAL PHYSICS, 2019, 通讯作者
(18) Enhanced reactivity of fluorine with para-hydrogen in cold interstellar clouds by resonance-induced quantum tunnelling, NATURE CHEMISTRY, 2019, 通讯作者
(19) Vibrationally resolved above-threshold ionization in NO molecules by intense ultrafast two-color laser pulses: An experimental and theoretical study, PHYSICAL REVIEW A, 2019, 第 5 作者
(20) Dynamics studies of the H plus HBr reaction: Based on a new potential energy surface, JOURNAL OF CHEMICAL PHYSICS, 2019, 通讯作者
(21) 用Sin-DVR方法求解在绝热表象下锥形交叉分子振动本征态, Numerical Convergence of the Sinc Discrete Variable Representation for Solving Molecular Vibrational States with a Conical Intersection in Adiabatic Representation, 化学物理学报, 2019, 第 3 作者
(22) Observation of the geometric phase effect in the H plus HD -> H-2 + D reaction, SCIENCE, 2018, 通讯作者
(23) A pilot study of pancreatic islet amyloid PET imaging with F-18FDDNP, NUCLEAR MEDICINE COMMUNICATIONS, 2018, 第 5 作者
(24) State-to-state mode specificity in H + DOH(nu(OH)=1) -> HD + OH(nu(2)=0) reaction: vibrational non-adiabaticity or local-mode excitation?, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 第 2 作者
(25) Dynamical resonances in F + H-2/HD reaction scattering, THEORETICAL CHEMISTRY ACCOUNTS, 2018, 通讯作者
(26) BRMS1L suppresses ovarian cancer metastasis via inhibition of the beta-catenin-wnt pathway, EXPERIMENTAL CELL RESEARCH, 2018, 第 3 作者
(27) A new potential energy surface of the oh2+ system and state-to-state quantum dynamics studies of the o++ h-2 reaction, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 通讯作者
(28) 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
(29) Quantum real wave packet method by using spectral difference for a triatomic reactive scattering, CHEMICAL PHYSICS, 2018, 通讯作者
(30) Direct observation of forward-scattering oscillations in the H+HD -> H-2+D reaction, NATURE CHEMISTRY, 2018, 通讯作者
(31) Quantum wavepacket method for state-to-state reactive cross sections in hyperspherical coordinates, JOURNAL OF CHEMICAL PHYSICS, 2018, 通讯作者
(32) Dynamical resonances in chemical reactions, CHEMICAL SOCIETY REVIEWS, 2018, 通讯作者
(33) Observation of the geometric phase effect in the H + HD → H2 + D reaction, Science, 2018, 通讯作者
(34) Direct observation of forward-scattering oscillations in the H+HD -> H-2+D reaction, NATURE CHEMISTRY, 2018, 通讯作者
(35) An Exact Propagator for Solving the Triatomic Reactive Schrodinger Equation, CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 通讯作者
(36) A review of dynamical resonances in A plus BC chemical reactions, REPORTS ON PROGRESS IN PHYSICS, 2017, 第 2 作者
(37) A review of dynamical resonances in A+BC chemical reactions, Report on Progress in Physics, 2017, 
(38) ERK/MAPK and PI3K/AKT signal channels simultaneously activated in nerve cell and axon after facial nerve injury, SAUDI JOURNAL OF BIOLOGICAL SCIENCES, 2017, 第 1 作者
(39) Launching Phonon Polaritons by Natural Boron Nitride Wrinkles with Modifiable Dispersion by Dielectric Environments, ADVANCED MATERIALS, 2017, 第 5 作者
(40) Prognostic significance of synergistic hexokinase-2 and beta2-adrenergic receptor expression in human hepatocelluar carcinoma after curative resection, BMC GASTROENTEROLOGY, 2016, 第 10 作者
(41) State-to-state mode selectivity in the hd plus oh reaction: perspectives from two product channels, JOURNAL OF CHEMICAL PHYSICS, 2016, 第 2 作者
(42) A reactant-coordinate-based approach to state-to-state differential cross sections for tetratomic reactions, JOURNAL OF CHEMICAL PHYSICS, 2016, 通讯作者
(43) 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
(44) 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, 2016, 第 6 作者
(45) 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
(46) State-to-state differential cross sections for d-2 + oh -> d plus doh reaction: influence of vibrational excitation of oh reactant, JOURNAL OF CHEMICAL PHYSICS, 2016, 通讯作者
(47) Calculated vibrational states of ozone up to dissociation, JOURNAL OF CHEMICAL PHYSICS, 2016, 第 5 作者
(48) 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
(49) 化速率键长-键角和Radau坐标下哈密顿算符在傅里叶基组表象下的厄米性, Hermiticity of Hamiltonian Matrix using the Fourier Basis Sets in Bond-Bond-Angle and Radau Coordinates, CHINESE JOURNAL OF CHEMICAL PHYSICS, 2016, 通讯作者
(50) Theoretical study of fh2- electron photodetachment spectra on new ab initio potential energy surfaces, JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 第 4 作者
(51) 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, JOURNAL OF CHEMICAL PHYSICS, 2015, 第 1 作者
(52) State-to-state reaction dynamics of 18O+32O2 studied by a time-dependent quantum wavepacket method, JOURNAL OF CHEMICAL PHYSICS, 2015, 第 3 作者
(53) State-to-state reaction dynamics of O-18+O-32(2) studied by a time-dependent quantum wavepacket method, JOURNAL OF CHEMICAL PHYSICS, 2015, 通讯作者
(54) Effect of reagent vibrational excitation on the dynamics of f + h-2(v=1, j=0) -> hf(v ', j ') plus h reaction, JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 通讯作者
(55) Effect of Reagent Rotational Excitation on Dynamics of F+H-2 -> HF+H, CHINESE JOURNAL OF CHEMICAL PHYSICS, 2015, 通讯作者
(56) Extremely short-lived reaction resonances in Cl + HD (v = 1)→DCl + H due to chemical bond softening, SCIENCE, 2015, 第 6 作者
(57) Communication: State-to-state dynamics of the Cl + H2O -> HCl plus OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal, JOURNAL OF CHEMICAL PHYSICS, 2015, 第 2 作者
(58) State-to-state mode specificity: energy sequestration and flow gated by transition state, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2015, 第 2 作者
(59) Quantum Dynamics of Li+HF/DF Reaction Investigated by a State-to-State Time-dependent Wave Packet Approach, CHINESE JOURNAL OF CHEMICAL PHYSICS化学物理学报, 2015, 第 3 作者
(60) H + H-2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: Validation of the density functionals, JOURNAL OF CHEMICAL PHYSICS, 2015, 第 3 作者
(61) Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal, JOURNAL OF CHEMICAL PHYSICS, 2015, 第 2 作者
(62) An improved Lobatto discrete variable representation by a phase optimisation and variable mapping method, CHEMICAL PHYSICS, 2015, 通讯作者
(63) Effect of Reagent Rotational Excitation on Dynamics of F+H2→HF+H+, CHINESE JOURNAL OF CHEMICAL PHYSICS化学物理学报, 2015, 第 6 作者
(64) Quantum Dynamics of Li plus HF/DF Reaction Investigated by a State-to-State Time-dependent Wave Packet Approach, CHINESE JOURNAL OF CHEMICAL PHYSICS, 2015, 通讯作者
(65) Effect of Reagent Rotational Excitation on Dynamics of F+H2→HF+H, Effect of Reagent Rotational Excitation on Dynamics of F+H2→HF+H, 化学物理学报, 2015, 第 6 作者
(66) An accurate potential energy surface for the F + H2 → HF + H reaction by the coupled-luster method, JOURNAL OF CHEMICAL PHYSICS, 2015, 第 2 作者
(67) Kinetic isotope effect of the O-16+O-36(2) and O-18+O-32(2) isotope exchange reactions: Dominant role of reactive resonances revealed by an accurate time-dependent quantum wavepacket study, JOURNAL OF CHEMICAL PHYSICS, 2015, 通讯作者
(68) Accurate mapped trigonometric discrete variable representations for Coulomb singularities in molecules: Applications with H-2(+) and H-2 in cylindrical coordinates, CHEMICAL PHYSICS LETTERS, 2015, 通讯作者
(69) The General Existence of the Role of Chemical Reactive Scattering, xiii international workshop on quantum reactive scattering, 2015, 第 1 作者
(70) Quantum Dynamics of Li+HF/DF Reaction Investigated by a State-to-State Time-dependent Wave Packet Approach, Quantum Dynamics of Li+HF/DF Reaction Investigated by a State-to-State Time-dependent Wave Packet Approach, 化学物理学报, 2015, 第 3 作者
(71) Extremely short-lived reaction resonances in Cl plus HD (v=1) -> DCl plus H due to chemical bond softening, SCIENCE, 2015, 第 6 作者
(72) Development of the Potential Energy Surface and Current Stage of the Quantum Dynamics Studies of the F+H2/HD Reaction, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2015, 通讯作者
(73) The General Role of Reactive Resonances in Triatomic Molecules, dicp symposium (xxxvii) on theoretical challenges in small molecule dynamics,a satellite meeting of the 15th international congress of quantum chemistry, 2015, 第 1 作者
(74) Effect of Reagent Rotational Excitation on Dynamics of F+H2→HF+H, Effect of Reagent Rotational Excitation on Dynamics of F+H-2 -> HF+H, CHINESE JOURNAL OF CHEMICAL PHYSICS, 2015, 通讯作者
(75) Time-dependent quantum wave packet and quasiclassical trajectory studies of the Au(S-2) + H-2(X-1 n-ary sumation (+)(g)) -> AuH(X-1 n-ary sumation (+)(g)) + H(S-2) reaction, MOLECULAR PHYSICS, 2014, 第 3 作者
(76) Efficient Fourth-Order Split Operator for Solving the Triatomic Reactive Schrodinger Equation in the Time-Dependent Wavepacket Approach, JOURNAL OF PHYSICAL CHEMISTRY A, 2014, 通讯作者
(77) Calculation of state-to-state differential and integral cross sections for atom-diatom reactions with transition-state wave packets, JOURNAL OF CHEMICAL PHYSICS, 2014, 通讯作者
(78) Product fine-structure resolved photodissociation dynamics: The A band of H2O, JOURNAL OF CHEMICAL PHYSICS, 2014, 第 3 作者
(79) 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
(80) Calculation of the state-to-state S-matrix for tetra-atomic reactions with transition-state wave packets: H-2/D-2 + OH -> H/D + H2O/HOD, JOURNAL OF CHEMICAL PHYSICS, 2014, 通讯作者
(81) 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 1 作者
(82) Calculation of state-to-state cross sections for triatomic reaction by the multi-configuration time-dependent Hartree method, JOURNAL OF CHEMICAL PHYSICS, 2014, 通讯作者
(83) Asymmetry of Photoelectron Angular Distributions in Molecules by Intense Attosecond Extreme Ultraviolet Laser Pulses, CHINESE JOURNAL OF CHEMICAL PHYSICS, 2014, 第 3 作者
(84) Communication: Rigorous quantum dynamics of O + O-2 exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients, JOURNAL OF CHEMICAL PHYSICS, 2014, 通讯作者
(85) Autler-Townes Effects in Attosecond Circular Polarization Molecular Photoionization, 17TH INTERNATIONAL CONFERENCE ON RECENT PROGRESS IN MANY-BODY THEORIES (MBT17), 2014, 第 2 作者
(86) Isotope-Dependent Rotational States Distributions Enhanced by Dynamic Resonance States: A Comparison Study of the F plus HD -> HF(V-HF=2) + D and F + H-2 -> HF(V-HF=2) + H Reaction, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2014, 第 4 作者
(87) 强阿秒XUV激走脉冲下H2^+分子光电子能谱角分布非对称性, Asymmetry of Photoelectron Angular Distributions in Molecules by Intense Attosecond Extreme Ultraviolet Laser Pulses, 化学物理学报, 2014, 第 3 作者
(88) Coriolis coupling effect of state-to-state quantum dynamics for He + HeH+, THEORETICAL CHEMISTRY ACCOUNTS, 2014, 第 5 作者
(89) Mapped Finite Element Discrete Variable Representation, CHINESE JOURNAL OF CHEMICAL PHYSICS, 2013, 第 4 作者
(90) Time-dependent wave packet state-to-state dynamics of H/D+HCl/DCl reactions, JOURNAL OF CHEMICAL PHYSICS, 2013, 第 3 作者
(91) 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, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2013, 第 3 作者
(92) 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, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2013, 第 3 作者
(93) State-to-state Reactive Scattering by MCTDH method, XXIV CONFERENCE ON DYNAMICS OF MOLECULAR COLLISIONS, 2013, 第 1 作者
(94) Dynamical Resonances Accessible Only by Reagent Vibrational Excitation in the F plus HD -> HF plus D Reaction, SCIENCE, 2013, 第 5 作者
(95) Dynamical Resonances Accessible Only by Reagent Vibrational Excitation in the F+HD→HF+D Reaction, SCIENCE, 2013, 通讯作者
(96) Quantum state-to-state dynamics for the quenching process of Br(P-2(1/2)) + H-2(v(i)=0, 1, j(i)=0), JOURNAL OF CHEMICAL PHYSICS, 2012, 第 4 作者
(97) 基于量子波包方法的态-态分辨反应散射动力学计算, State-to-State Reactive Scattering by Quantum Wavepacket Method, 化学进展, 2012, 第 1 作者
(98) State-to-State Reactive Scattering by Quantum Wavepacket Method, PROGRESS IN CHEMISTRY, 2012, 通讯作者
(99) Higher-order split operator schemes for solving the Schrodinger equation in the time-dependent wave packet method: applications to triatomic reactive scattering calculations, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2012, 通讯作者
(100) Molecular Conformations and Dynamics on Surfaces of Gold Nanoparticles Probed with Multiple-Mode Multiple-Dimensional Infrared Spectroscopy, JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 第 7 作者
(101) 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
(102) Efficient Triatomic State-to-state Reactive Scattering Calculation by Wavepacket Method, XI WPRKSHOP ON QUANTUM REACTIVE SCATTERING, 2011, 第 1 作者
(103) Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD+OH -> H2O+D, SCIENCE, 2011, 第 7 作者
(104) Adiabatic and Nonadiabatic Bond Cleavages in Norrish Type I Reaction, JOURNAL OF PHYSICAL CHEMISTRY A, 2011, 第 2 作者
(105) Mapping Molecular Conformations with Multiple-Mode Two-Dimensional Infrared Spectroscopy, JOURNAL OF PHYSICAL CHEMISTRY A, 2011, 第 4 作者
(106) Quantum theory of time-resolved femtosecond stimulated Raman spectroscopy: Direct versus cascade processes and application to CDCl3, JOURNAL OF CHEMICAL PHYSICS, 2011, 第 2 作者
(107) An exact short-time solver for the time-dependent Schrodinger equation, JOURNAL OF CHEMICAL PHYSICS, 2011, 通讯作者
(108) Quantum and quasiclassical state-to-state dynamics of the NH plus H reaction: Competition between abstraction and exchange channels, JOURNAL OF CHEMICAL PHYSICS, 2011, 第 6 作者
(109) 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
(110) Analysis of femtosecond stimulated Raman spectroscopy of excited-state evolution in bacteriorhodopsin, JOURNAL OF CHEMICAL PHYSICS, 2010, 第 3 作者
(111) State-to-state quantum dynamics of the O+OH→H+O2 reaction, J. Chem. Phys., 2010, 第 1 作者
(112) State-to-state quantum dynamics of O + O-2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2010, 第 1 作者
(113) Time-dependent wavepacket investigation of state-to-state reactive scattering of Cl with para-H-2 including the open-shell character of the Cl atom, JOURNAL OF CHEMICAL PHYSICS, 2010, 第 1 作者
(114) State-to-state quantum dynamics of the O(P-3)+OH((2)Pi)-> H(S-2)+O-2((3)Sigma(-)(g)) reaction, JOURNAL OF CHEMICAL PHYSICS, 2010, 第 4 作者
(115) Extraction of state-to-state reactive scattering attributes from wave packet in reactant Jacobi coordinates, JOURNAL OF CHEMICAL PHYSICS, 2010, 通讯作者
(116) State-to-state quantum dynamics of O t O2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2010, 第 1 作者
(117) Dominated non-statistical behaviors in O+O2 Exchange Reactive Scattering:, xxiii international symposium on molecular beams, 2009, 第 1 作者
(118) 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
(119) Dominated Non-Statistical Behaviors in O+O2 Exchange Reactive Scattering: Quantum Resonances and Tunneling Effects, 10th international workshop on quantum reactive scattering, 2009, 第 1 作者
(120) 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
(121) Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations, JOURNAL OF CHEMICAL PHYSICS, 2009, 第 1 作者
(122) NH(X3Σ)+H/D(2S)→H(2S)+NH/ND(X3Σ) exchange reactions: State-to-state quantum scattering and applicability of statistical model, JOURNAL OF CHEMICAL PHYSICS, 2009, 第 3 作者
(123) A Reactant-Coordinate-Based Time-Dependent Wave Packet Method for Triatomic State-to-State Reaction Dynamics: Application to the H + O-2 Reaction, JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 第 1 作者
(124) Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations (vol 130, 174102, 2009), JOURNAL OF CHEMICAL PHYSICS, 2009, 第 1 作者
(125) HF(v’=3) forward scattering in the F+H2 reaction: Shape resonance and slow-down mechanism, XIII International Symposium on Molecular Physics, 2009, 第 9 作者
(126) NH(X-3 Sigma)+H/D(S-2)-> H(S-2) plus NH/ND(X-3 Sigma) exchange reactions: State-to-state quantum scattering and applicability of statistical model, JOURNAL OF CHEMICAL PHYSICS, 2009, 第 3 作者
(127) The Extend of Non - Born-Oppenheimer Coupling in the Reaction of Cl (2P) with para- H2, SCIENCE, 2008, 其他(合作组作者)
(128) Fully Coriolis-coupled quantum studies of the H+O-2 (v(i)=0-2, j(i)=0,1) -> OH+O reaction on an accurate potential energy surface: Integral cross sections and rate constants, JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 第 2 作者
(129) Three-state model for femtosecond broadband Stimulated Raman Scatterin, J. Raman. Spectr., 2008, 第 1 作者
(130) The extent of non-Born-Oppenheimer coupling in the reaction of Cl(P-2) with para-H-2, SCIENCE, 2008, 其他(合作组作者)
(131) Probing the resonance potential in the F atom reaction with hydrogen deuteride with spectroscopic accuracy, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2008, 第 9 作者
(132) State-to-state dynamics of H + O2 reaction, evidence for non-statistical behaviors, J. Am. Chem. Soc., 2008, 第 1 作者
(133) Fully Coriolis-coupled quantum studies of the H+O-2 (v(i)=0-2, j(i)=0,1) -> OH+O reaction on an accurate potential energy surface: Integral cross sections and rate constants, JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 第 2 作者
(134) HF(v '=3) forward scattering in the F+H-2 reaction: Shape resonance and slow-down mechanism, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2008, 第 9 作者
(135) State-to-State Dynamics of H + O-2 Reaction, Evidence for Nonstatistical Behavior, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2008, 第 1 作者
(136) The Extent of Non-Born-Oppenheimer Coupling in the Reaction of Cl(2P) with para-H2, Science, 2008, 
(137) Wave packet theory of dynamics stimulated Raman spectra in femtosecond pump-probe spectroscopy, J. Chem. Phys., 2007, 第 1 作者
(138) The application of Bessel discrete variable representation to atomic hydrogen in intense laser fields, JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2007, 第 2 作者
(139) Time-depend quantum wave packet study of F+HCl/DCl reactions, Chinese J. Chem. Phys., 2007, 第 1 作者
(140) Molecular photoelectron spectrum in ultrashort laser fields: Autler-Townes splitting under rotational and aligned effects, PHYSICAL REVIEW A, 2006, 第 2 作者
(141) Probing Feshbach resonances in F+H2(j=1)→ HF+H:Dynamical effect of single quantum H2-rotation, JOURNAL OF CHEMICAL PHYSICS, 2006, 第11作者
(142) Probing Reaction Resonances in F+H2, 2006 dicp symposium(xii) on molecular dynamics, 2006, 第 10 作者
(143) Observation of Feshbach Resonances in the F+ H2 → HF +H Reaction, SCIENCE, 2006, 
(144) Selective vibrational population transfer between electronic states of the Na-2 molecule with ultrashort laser pulses, CHEMICAL PHYSICS, 2006, 第 3 作者
(145) J CHEM PHYS, 2006, 
(146) Photodissociation dynamics of CF3I investigated by two-color femtosecond laser pulses, EUROPEAN PHYSICAL JOURNAL D, 2006, 
(147) Three-dimensional time-dependent wave-packet calculations of OBrO absorption spectra, JOURNAL OF CHEMICAL PHYSICS, 2005, 
(148) Selective excitation of the OClO molecule with femtosecond laser pulse, PHYSICAL REVIEW A, 2005, 
(149) absorption and Raman Spectra of the OClO molecule: A 3D Time-dependent Wavepacket Study, J. Chem. Phys., 2005, 第 1 作者
(150) On using Fourier series and Legendre polynomials as angular basis sets for nonrotating triatomic molecules, CHEMICAL PHYSICS LETTERS, 2005, 
(151) A 2A2←X 2B1 absorption and Raman spectra of the OClO molecule: A three-dimensional time-dependent wave packet study, JOURNAL OF CHEMICAL PHYSICS, 2005, 第 1 作者
(152) Steering wave packet dynamics and population transfer between electronic states of the Na-2 molecule by femtosecond laser pulses, CHEMICAL PHYSICS, 2005, 
(153) Molecular dynamics and control following excitation with an ultra-short intense laser pulse, CHEMICAL PHYSICS, 2005, 
(154) 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
(155) Time-Dependent Wave Packet Split Operator Calculations on a Three-Dimensional Fourier Grid in Radau Coordinates Applied to the OCLO Photoeleatron Spectrum, JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 第 1 作者
(156) Autler-townes splitting in the multiphoton resonance ionization spectrum of molecules produced by ultrashort laser pulses, PHYSICAL REVIEW LETTERS, 2003, 
(157) Selecting ionization path by dynamic stark shift with strong laser pulse, CHEMICAL PHYSICS LETTERS, 2003, 
(158) Control of chemical reaction in high-intensity laser field, CHINESE JOURNAL OF CHEMICAL PHYSICS, 2002, 
(159) 强激光场下化学反应的控制, 化学物理学报, 2002, 第 1 作者
(160) A novel ionization path of nitric oxide: resonance; not perturbation; plays a role, CHEMPHYSCHEM, 2002, 
(161) Femtosecond pump-probe photodissociation of OClO: direct observation of the 2A1 state and the role of accidental multiphoton resonance, 
发表著作
(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

科研活动

   
科研项目
( 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

合作情况

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

指导学生

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