Kurt Egon Shuler - Related publications

University of California, San Diego, La Jolla, CA 
theoretical chemistry, chemical lasers
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50 most relevant papers in past 60 days:
Year Citation  Score
2020 Agrahari G, Chatterjee A. Speed-up of Monte Carlo simulations by preparing starting off-lattice structures that are close to equilibrium. The Journal of Chemical Physics. 152: 044102. PMID 32007045 DOI: 10.1063/1.5131303   
2020 Palmero MS, Díaz GI, McClintock PVE, Leonel ED. Diffusion phenomena in a mixed phase space. Chaos (Woodbury, N.Y.). 30: 013108. PMID 32013459 DOI: 10.1063/1.5100607   
2020 Toth G, Ma W. Phase-field modelling of the effect of density change on solidification revisited: Model development and analytical solutions for single component materials. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 31896092 DOI: 10.1088/1361-648X/ab670e   
2020 Kunitsa AA, Hirata S. Grid-based diffusion Monte Carlo for fermions without the fixed-node approximation. Physical Review. E. 101: 013311. PMID 32069646 DOI: 10.1103/PhysRevE.101.013311   
2020 Xie SJ, Schweizer KS. A collective elastic fluctuation mechanism for decoupling and stretched relaxation in glassy colloidal and molecular liquids. The Journal of Chemical Physics. 152: 034502. PMID 31968977 DOI: 10.1063/1.5129550   
2020 Eun C. Effects of the Size, the Number, and the Spatial Arrangement of Reactive Patches on a Sphere on Diffusion-limited Reaction Kinetics: A Comprehensive Study. International Journal of Molecular Sciences. 21. PMID 32028667 DOI: 10.3390/ijms21030997   
2020 Das SK, Das K, Vadakkayil N, Chakraborty S, Paul S. Initial correlation dependence of aging in phase separating solid binary mixtures and ordering ferromagnets. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 31952063 DOI: 10.1088/1361-648X/ab6d10   
2020 Wu W, Klein T, Kerscher M, Rausch MH, Koller TM, Giraudet C, Fröba AP. Mutual and Thermal Diffusivities as Well as Fluid-Phase Equilibria of Mixtures of 1-Hexanol and Carbon Dioxide. The Journal of Physical Chemistry. B. PMID 32105484 DOI: 10.1021/acs.jpcb.0c00646   
2020 Purohit A, Schultz AJ, Kofke DA. Implementation of harmonically mapped averaging in LAMMPS, and effect of potential truncation on anharmonic properties. The Journal of Chemical Physics. 152: 014107. PMID 31914768 DOI: 10.1063/1.5129942   
2020 Campo M, Speck T. Dynamical coexistence in moderately polydisperse hard-sphere glasses. The Journal of Chemical Physics. 152: 014501. PMID 31914758 DOI: 10.1063/1.5134842   
2020 Wang Y, Xu RX, Yan Y. Entangled system-and-environment dynamics: Phase-space dissipaton theory. The Journal of Chemical Physics. 152: 041102. PMID 32007083 DOI: 10.1063/1.5135776   
2020 Wang J, Liu TX, Luo XZ, Xu XL, Li N. Anomalous energy diffusion in two-dimensional nonlinear lattices. Physical Review. E. 101: 012126. PMID 32069594 DOI: 10.1103/PhysRevE.101.012126   
2020 da Silva R, de Oliveira MJ, Tomé T, Drugowich de Felício JR. Analysis of earlier times and flux of entropy on the majority voter model with diffusion. Physical Review. E. 101: 012130. PMID 32069645 DOI: 10.1103/PhysRevE.101.012130   
2020 Jana S, Patra A, Constantin LA, Samal P. Screened range-separated hybrid by balancing the compact and slowly varying density regimes: Satisfaction of local density linear response. The Journal of Chemical Physics. 152: 044111. PMID 32007058 DOI: 10.1063/1.5131530   
2020 Wang Z, Pereira JM, Gan Y. Effect of Wetting Transition during Multiphase Displacement in Porous Media. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 32070092 DOI: 10.1021/acs.langmuir.9b03780   
2020 Wong CPJ, Choi P. On the diffusivity of ring polymers. Soft Matter. PMID 32057069 DOI: 10.1039/c9sm02275a   
2020 Fu Z, Guo W, Blöte HWJ. Three-state Potts model on the centered triangular lattice. Physical Review. E. 101: 012118. PMID 32069637 DOI: 10.1103/PhysRevE.101.012118   
2020 Ko HY, Jia J, Santra B, Wu X, Car R, DiStasio RA. Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Molecular Dynamics I: Theory, Algorithm, and Performance. Journal of Chemical Theory and Computation. PMID 32045232 DOI: 10.1021/acs.jctc.9b01167   
2020 Subhedar A, Reiter A, Selzer M, Varnik F, Nestler B. Interface tracking characteristics of color-gradient lattice Boltzmann model for immiscible fluids. Physical Review. E. 101: 013313. PMID 32069649 DOI: 10.1103/PhysRevE.101.013313   
2020 Srinivasan H, Sharma VK, García Sakai V, Embs JP, Mukhopadhyay R, Mitra S. Transport Mechanism of Acetamide in Deep Eutectic Solvents. The Journal of Physical Chemistry. B. PMID 32017563 DOI: 10.1021/acs.jpcb.9b11137   
2020 Liu YY, Yang G, Xu Y, Peng F, Wang LQ. Effect of space diffuser on flow characteristics of a centrifugal pump by computational fluid dynamic analysis. Plos One. 15: e0228051. PMID 32012173 DOI: 10.1371/journal.pone.0228051   
2020 Caraglio M, Sakaue T, Carlon E. Transition path times in asymmetric barriers. Physical Chemistry Chemical Physics : Pccp. 22: 3512-3519. PMID 31993608 DOI: 10.1039/c9cp05659a   
2020 Shi D, He D, Wang Q, Ma C, Shu H. Free Vibration Analysis of Closed Moderately Thick Cross-Ply Composite Laminated Cylindrical Shell with Arbitrary Boundary Conditions. Materials (Basel, Switzerland). 13. PMID 32079168 DOI: 10.3390/ma13040884   
2020 Pal A, Martinez VA, Ito TH, Arlt J, Crassous JJ, Poon WCK, Schurtenberger P. Anisotropic dynamics and kinetic arrest of dense colloidal ellipsoids in the presence of an external field studied by differential dynamic microscopy. Science Advances. 6: eaaw9733. PMID 32010765 DOI: 10.1126/sciadv.aaw9733   
2020 Qiu Q, Ma R, Kurths J, Zhan M. Swing equation in power systems: Approximate analytical solution and bifurcation curve estimate. Chaos (Woodbury, N.Y.). 30: 013110. PMID 32013499 DOI: 10.1063/1.5115527   
2020 Pieprzyk S, Brańka AC, Yuste SB, Santos A, de Haro ML. Structural properties of additive binary hard-sphere mixtures. Physical Review. E. 101: 012117. PMID 32069599 DOI: 10.1103/PhysRevE.101.012117   
2020 Fiorucci G, Coli GM, Padding JT, Dijkstra M. The effect of hydrodynamics on the crystal nucleation of nearly hard spheres. The Journal of Chemical Physics. 152: 064903. PMID 32061217 DOI: 10.1063/1.5137815   
2020 Chen H, Snurr RQ. Understanding the Loading Dependence of Adsorbate Diffusivities in Hierarchical Metal-Organic Frameworks. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 31957450 DOI: 10.1021/acs.langmuir.9b03802   
2020 Eißman PB, Odenbach S, Lange A. Meniscus of a Magnetic Fluid in the Field of a Current-Carrying Wire: Three-Dimensional Numerical Simulations. Materials (Basel, Switzerland). 13. PMID 32046243 DOI: 10.3390/ma13030775   
2020 Wilkinson CJ, Doss K, Cassar DR, Welch RS, Bragatto CB, Mauro JC. Predicting Ionic Diffusion in Glass from its Relaxation Behavior. The Journal of Physical Chemistry. B. PMID 31955573 DOI: 10.1021/acs.jpcb.9b10645   
2020 Del Rio BG, Pascual C, Gonzalez LE, Gonzalez DJ. Structure and dynamics of the liquid 3d transition metals near melting. An ab-initio study. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 31972549 DOI: 10.1088/1361-648X/ab6f16   
2020 Palacio-Betancur V, Armas-Pérez JC, Villada-Gil S, Abbott NL, Hernández-Ortiz JP, de Pablo JJ. Cuboidal liquid crystal phases under multiaxial geometrical frustration. Soft Matter. PMID 31938794 DOI: 10.1039/c9sm02021g   
2020 Rinald A, Wu G. A Modified Townes-Dailey Model for Interpretation and Visualization of Nuclear Quadrupole Coupling Tensors in Molecules. The Journal of Physical Chemistry. A. PMID 31968940 DOI: 10.1021/acs.jpca.0c00439   
2020 Hanstock C, Beaulieu C. Rapid acquisition diffusion MR spectroscopy of metabolites in human brain. Nmr in Biomedicine. e4270. PMID 32045958 DOI: 10.1002/nbm.4270   
2020 Anderson RJ, Shiozaki T, Booth GH. Efficient and stochastic multireference perturbation theory for large active spaces within a full configuration interaction quantum Monte Carlo framework. The Journal of Chemical Physics. 152: 054101. PMID 32035465 DOI: 10.1063/1.5140086   
2020 Xu J, Hu Q, Liu X, Wei S, Zheng J, Lin W, Ye Y, Zhu F, Ouyang G. Determination of the mass transfer coefficients in direct immersion solid-phase microextraction. Journal of Separation Science. PMID 32057182 DOI: 10.1002/jssc.201901345   
2020 Reddy VS, Nath P, Horbach J, Sollich P, Sengupta S. Nucleation Theory for Yielding of Nearly Defect-Free Crystals: Understanding Rate Dependent Yield Points. Physical Review Letters. 124: 025503. PMID 32004040 DOI: 10.1103/PhysRevLett.124.025503   
2020 Ma M, Zhang J, Zhou X, Xu Z. The melt content of the low velocity layer atop the mantle transition zone: Theory and method of calculation. Methodsx. 7: 100751. PMID 32021815 DOI: 10.1016/j.mex.2019.11.024   
2020 Dou W, Subotnik JE. Non-Adiabatic Molecular Dynamics at Metal surfaces. The Journal of Physical Chemistry. A. PMID 31916769 DOI: 10.1021/acs.jpca.9b10698   
2020 Hao W, Wang K, Yue B, Chen Q, Huang Y, Yu J, Li D. Influence of the pre-elution of solute in initial mobile phase on retention time and peak compression under linear gradient elution. Journal of Chromatography. A. 460858. PMID 31954543 DOI: 10.1016/j.chroma.2020.460858   
2020 Guo M, Keski-Vakkuri E, Liu H, Tian Y, Zhang H. Dynamical Phase Transition from Nonequilibrium Dynamics of Dark Solitons. Physical Review Letters. 124: 031601. PMID 32031857 DOI: 10.1103/PhysRevLett.124.031601   
2020 Chen Z, Yu J, Teerakapibal R, Meerpoel L, Richert R, Yu L. Organic glasses with tunable liquid-crystalline order through kinetic arrest of end-over-end rotation: the case of saperconazole. Soft Matter. PMID 31998921 DOI: 10.1039/c9sm02180a   
2020 Gao A, Remsing RC, Weeks JD. Short solvent model for ion correlations and hydrophobic association. Proceedings of the National Academy of Sciences of the United States of America. PMID 31911472 DOI: 10.1073/pnas.1918981117   
2020 Ponce S, Li W, Reichardt S, Giustino F. First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials. Reports On Progress in Physics. Physical Society (Great Britain). PMID 31923906 DOI: 10.1088/1361-6633/ab6a43   
2020 Torres-Sánchez LA, Freitas de Abreu GT, Kettemann S. Analysis of the dynamics and topology dependencies of small perturbations in electric transmission grids. Physical Review. E. 101: 012313. PMID 32069688 DOI: 10.1103/PhysRevE.101.012313   
2020 Gruber M, Puertas AM, Fuchs M. Critical force in active microrheology. Physical Review. E. 101: 012612. PMID 32069683 DOI: 10.1103/PhysRevE.101.012612   
2020 Deng Y, Li Y. A memristive conservative chaotic circuit consisting of a memristor and a capacitor. Chaos (Woodbury, N.Y.). 30: 013120. PMID 32013483 DOI: 10.1063/1.5128384   
2020 Qu G, Cui H, Zhu Y, Yang L, Li ST. The Substantial Improvement of Dielectric Strength of Cellulose-Liquid Composites: Effects of Traps at the Nanoscale Interface. The Journal of Physical Chemistry Letters. PMID 32058721 DOI: 10.1021/acs.jpclett.0c00235   
2020 Malkar D, Monika M, Prasad V, Roy A. Pseudopolar smectic-C phases of azo-substituted achiral bent-core hockey-stick-shaped molecules. Physical Review. E. 101: 012701. PMID 32069544 DOI: 10.1103/PhysRevE.101.012701   
2020 Sereda YV, Ortoleva PJ. Temporally Coarse-Grained All-Atom Molecular Dynamics Achieved via Stochastic Padé Approximants. The Journal of Physical Chemistry. B. PMID 31958947 DOI: 10.1021/acs.jpcb.9b10735