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Quantum dynamics
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181	The density maximum of water A simulation with the SPC/E water model Hugo Bouma and Hugo van der Wijst Leiden University In the paper, we study certain computer simulations of a modified version of the SPC/E water model, Add to Reading List Source URL: boinc.gorlaeus.net Language: English - Date: 2007-12-17 09:33:28 Thermodynamics Physical quantities State functions Computational chemistry Molecular dynamics Virial theorem Quantum mechanics Particle Molecular diffusion Physics Chemistry Molecular modelling
182	Max Planck Institute for Microstructure Physics Theory Department ANALYSIS AND CONTROL OF ELECTRON DYNAMICS K. Krieger, M. Hellgren, M. Odashima, D. Nitsche, A. Castañeda Medina In the mid eighties, Runge and Gross dev Add to Reading List Source URL: www2.mpi-halle.mpg.de Language: English - Date: 2011-11-03 04:26:30 Density functional theory Quantum chemistry Theoretical chemistry Time-dependent density functional theory Quantum dot Electron Laser Carbon nanotube Anthony E. Siegman Physics Chemistry Emerging technologies
183	Universal Thermodynamics and Spin Transport in a Strongly Interacting Fermi Gas Martin Zwierlein Phase transitions in fermionic systems Add to Reading List Source URL: www.the-conference.com Language: English - Date: 2012-02-09 09:40:35 Phases of matter Quantum field theory Superfluid Fermion Matter Gas Temperature Enrico Fermi Hendricus Stoof Physics Condensed matter physics Fluid dynamics
184	1890 J. Chem. Theory Comput. 2007, 3, [removed]Design of a Next Generation Force Field: The X-POL Potential Add to Reading List Source URL: www.dtc.umn.edu Language: English - Date: 2012-08-16 12:29:04 Molecular physics Quantum chemistry Intermolecular forces Force field Molecular dynamics Molecular Hamiltonian Quantum mechanics Chemical bond Molecular mechanics Chemistry Computational chemistry Molecular modelling
185	CHAPTER 5 Kinetic Isotope Eﬀects from Hybrid Classical and Quantum Path Integral Computations JIALI GAO, KIN-YIU WONG, DAN T. MAJOR, Add to Reading List Source URL: www.dtc.umn.edu Language: English - Date: 2012-08-16 12:29:06 Statistical mechanics Computational chemistry Lagrangian mechanics Free energy perturbation Hagen Kleinert Path integral formulation Action Hydrogen atom Molecular dynamics Physics Quantum mechanics Quantum field theory
186	10 Cellular Automata and Lattice Gases We started our discussion of partial differential equations by considering how they arise as continuum approximations to discrete systems (such as cars on a highway, or masses conn Add to Reading List Source URL: fab.cba.mit.edu Language: English - Date: 2014-04-01 00:13:21 Computational physics Lattice gas automaton Quantum mechanics Statistical mechanics Cellular automaton Gas Quantum field theory Boltzmann equation Quantum cellular automata Physics Cellular automata Computational fluid dynamics
187	J. Phys. Chem. C 2008, 112, 16655–[removed]Real-Time Propagation of the Reduced One-Electron Density Matrix in Atom-Centered Orbitals: Application to Electron Injection Dynamics in Dye-Sensitized TiO2 Clusters Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:07 Theoretical chemistry Dye-sensitized solar cells Ultraviolet radiation Crystal Time-dependent density functional theory Molecular orbital Titanium dioxide Chemistry Computational chemistry Quantum chemistry
188	Chemical Physics[removed]–77 Contents lists available at ScienceDirect Chemical Physics journal homepage: www.elsevier.com/locate/chemphys Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2012-07-06 05:48:56 Theoretical chemistry Quantum chemistry Time-dependent density functional theory Density functional theory Molecular Hamiltonian Electronic band structure Basis set Ab initio quantum chemistry methods Molecular dynamics Chemistry Physics Computational chemistry
189	THE JOURNAL OF CHEMICAL PHYSICS 135, [removed]Time-dependent density functional theory based Ehrenfest dynamics Fan Wang,1,2 Chi Yung Yam,2 LiHong Hu,2,3 and GuanHua Chen2,a) 1 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2011-11-17 00:30:44 Theoretical chemistry Computational chemistry Computational physics Atomic physics Time-dependent density functional theory Hartree–Fock method Density functional theory Molecular dynamics Matrix Chemistry Physics Quantum chemistry
190	Combined QM/MM and Path Integral Simulations of Kinetic Isotope Effects in the Proton Transfer Reaction Between Nitroethane and Acetate Ion in Water JIALI GAO,1,2 KIN-YIU WONG,1 DAN T. MAJOR1,3 1 Add to Reading List Source URL: www.dtc.umn.edu Language: English - Date: 2012-08-16 12:29:04 Computational chemistry Statistical mechanics Chemical kinetics Kinetic isotope effect Physical organic chemistry Free energy perturbation Molecular dynamics Quantum mechanics Path integral formulation Physics Chemistry Science

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