Search Results - "Earl, David J"

Parallel tempering: theory, applications, and new perspectives by Earl, David J, Deem, Michael W

“…We review the history of the parallel tempering simulation method. From its origins in data analysis, the parallel tempering method has become a standard…”
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Computational Discovery of New Zeolite-Like Materials by Deem, Michael W, Pophale, Ramdas, Cheeseman, Phillip A, Earl, David J

“…We present a database of computationally predicted zeolite-like materials. The materials were identified by a Monte Carlo search of Si atom positions as the…”
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Toward a Database of Hypothetical Zeolite Structures by Earl, David J, Deem, Michael W

“…We present a computational method to identify zeolite-like frameworks by sampling a zeolite figure of merit. Monte Carlo methods, including simulated…”
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Evolvability Is a Selectable Trait by Earl, David J., Deem, Michael W., Chandler, David

“…Concomitant with the evolution of biological diversity must have been the evolution of mechanisms that facilitate evolution, because of the essentially…”
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Modeling microscopic swimmers at low Reynolds number by Earl, David J, Pooley, C M, Ryder, J F, Bredberg, Irene, Yeomans, J M

“…The authors employ three numerical methods to explore the motion of low Reynolds number swimmers, modeling the hydrodynamic interactions by means of the Oseen…”
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Mechanical and Dielectric Properties of Pure-Silica-Zeolite Low-k Materials by Li, Zijian, Johnson, Mark C., Sun, Minwei, Ryan, E. Todd, Earl, David J., Maichen, Wolfgang, Martin, Jeremy I., Li, Shuang, Lew, Christopher M., Wang, Junlan, Deem, Michael W., Davis, Mark E., Yan, Yushan

“…Special k: Pure silica zeolites (PSZs) have been shown experimentally to display a remarkably higher elastic modulus than amorphous porous silicas at any given…”
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Quantifying influenza vaccine efficacy and antigenic distance by Gupta, Vishal, Earl, David J., Deem, Michael W.

“…We introduce a new measure of antigenic distance between influenza A vaccine and circulating strains. The measure correlates well with efficacies of the H3N2…”
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Calculations of helical twisting powers from intermolecular torques by Earl, David J, Wilson, Mark R

“…We present a Monte Carlo molecular simulation method that calculates the helical twisting power of a chiral molecule by sampling intermolecular torques. The…”
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Self-assembled chiral superstructures composed of rigid achiral molecules and molecular scale chiral induction by dopants by Yan, Fangyong, Hixson, Christopher Adam, Earl, David J

“…We explore the phase behavior of a rigid achiral bent-core model system. Nematic and smectic phases form at higher densities, whereas micelles and columns…”
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Monte Carlo simulations by Earl, David J, Deem, Michael W

“…A description of Monte Carlo methods for simulation of proteins is given. Advantages and disadvantages of the Monte Carlo approach are presented. The…”
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Solvent-shift Monte Carlo: a cluster algorithm for solvated systems by Hixson, Christopher Adam, Benigni, James P, Earl, David J

“…We present a cluster algorithm for the efficient simulation of solvated systems that we term solvent-shift Monte Carlo (SSMC). The algorithm involves a…”
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Glassy dynamics in the adaptive immune response prevents autoimmune disease by JUN SUN, EARL, David J, DEEM, Michael W

“…The immune system normally protects the human host against death by infection. However, when an immune response is mistakenly directed at self-antigens,…”
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Markov Chains of Infinite Order and Asymptotic Satisfaction of Balance:  Application to the Adaptive Integration Method by Earl, David J., Deem, Michael W.

“…Adaptive Monte Carlo methods can be viewed as implementations of Markov chains with infinite memory. We derive a general condition for the convergence of a…”
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Optimal Allocation of Replicas to Processors in Parallel Tempering Simulations by Earl, David J, Deem, Michael W

“…The optimal allocation of replicas to a homogeneous or heterogeneous set of processors is derived for parallel tempering simulations on multiprocessor…”
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Synthesis and Monte Carlo Structure Determination of SSZ-77: A New Zeolite Topology by Earl, David J, Burton, Allen W, Rea, Thomas, Ong, Kenneth, Deem, Michael W, Hwang, Son-Jong, Zones, Stacey I

“…A new molecular sieve topology has been determined from a multistage Monte Carlo computer simulation procedure using the program ZEFSAII. The material, SSZ-77,…”
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Computer simulations of soft repulsive spherocylinders by EARL, DAVID J., ILNYTSKYI, JAROSLAV, WILSON, MARK R.

“…Computer simulations of systems of soft repulsive spherocylinders (SRS) of aspect ratio (L/D) equal to 4 have been carried out using the parallel molecular…”
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Induced and spontaneous deracemization in bent-core liquid crystal phases and in other phases doped with bent-core molecules by Earl, David J, Osipov, Mikhail A, Takezoe, Hideo, Takanishi, Yoichi, Wilson, Mark R

“…Recently discovered chiral properties of several bent-core smectic liquid crystal phases are summarized and discussed in detail under the assumption that…”
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Scaled Chiral Indices for Ferroelectric Liquid Crystals by Solymosi, Miklos, Low, Robert J., Grayson, Martin, Neal, Maureen P., Wilson, Mark R., Earl, David J.

“…Chirality of optically active liquid crystal molecules has become an important research topic and the subject of a number of theoretical and experimental…”
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Mechanical and Dielectric Properties of Pure-Silica-Zeolite Low-k Materials by Li, Zijian, Johnson, Mark C., Sun, Minwei, Ryan, E. Todd, Earl, David J., Maichen, Wolfgang, Martin, Jeremy I., Li, Shuang, Lew, Christopher M., Wang, Junlan, Deem, Michael W., Davis, Mark E., Yan, Yushan

“…k wie konkurrenzlos: Wegen ihrer kristallinen Struktur zeigten Zeolithe aus reinem Siliciumdioxid (pure silica zeolites, PSZs) in Experimenten bei jeder…”
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In situ topographical imaging of electrode surfaces using high-resolution phase-measurement interferometric microscopy by White, Henry S, Earl, David J, Norton, John D, Kragt, Harlan J

“…Three-dimensional topographical imaging of electrode surfaces using phase-measurement interferometric microscopy is described. Topographical measurements are…”
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