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Molecular dynamics refers to the computer simulation of a material at the atomic level. An open problem in numerical analysis is to explain the apparent reliability of molecular dynamics simulations. The difficulty is that individual…

Numerical Analysis · Mathematics 2015-05-13 P. F. Tupper

We present an efficient perturbative method to obtain both static and dynamic polarizabilities and hyperpolarizabilities of complex electronic systems. This approach is based on the solution of a frequency dependent Sternheimer equation,…

Materials Science · Physics 2009-11-13 Xavier Andrade , Silvana Botti , Miguel A. L. Marques , Angel Rubio

Magnetic gels with embedded micro/nano-sized magnetic particles in crosslinked polymer networks can be actuated by external magnetic fields, with changes in their internal microscopic structures and macroscopic mechanical properties. We…

Soft Condensed Matter · Physics 2024-03-21 Xuefeng Wei , Gaspard Junot , Ramin Golestanian , Xin Zhou , Yanting Wang , Pietro Tierno , Fanlong Meng

Micro- and nanoplastics pose a growing threat to marine organisms, such as reef-building corals. Yet, our understanding of microplastic uptake, interaction with coral tissue, and incorporation into coral skeletons remains limited, mainly…

Biological Physics · Physics 2025-11-04 Vera M. Titze , Jessica Reichert , Marcel Schubert , Malte C. Gather

We have carried out molecular dynamics simulations of the crystallization of hard spheres modelling colloidal systems that are studied in conventional and space-based experiments. We use microscopic probes to investigate the effects of…

Condensed Matter · Physics 2009-11-07 Igor Volkov , Marek Cieplak , Joel Koplik , Jayanth R. Banavar

We derive an expression for the local transverse polarization of a boost-invariant expanding system of massive particles, which involves a set of dynamical spin moments. Starting from spin kinetic theory, we obtain a closed set of equations…

High Energy Physics - Phenomenology · Physics 2023-12-12 Nora Weickgenannt , Jean-Paul Blaizot

Conformational dynamics is crucial for ribonucleic acid (RNA) function. Techniques such as nuclear magnetic resonance, cryo-electron microscopy, small- and wide-angle X-ray scattering, chemical probing, single-molecule F\"orster resonance…

Biomolecules · Quantitative Biology 2025-01-31 Mattia Bernetti , Giovanni Bussi

Single-molecule pulling techniques have emerged as versatile tools for probing the noncovalent forces holding together the secondary and tertiary structure of macromolecules. They also constitute a way to study at the single-molecule level…

Biological Physics · Physics 2013-02-19 Ignacio Franco , Mark A. Ratner , George C. Schatz

Electropermeabilization is a clinical technique in cancer treatment to locally stimulate the cell metabolism. It is based on electrical fields that change the properties of the cell membrane. With that, cancer treatment can reach the cell…

Analysis of PDEs · Mathematics 2016-03-03 Habib Ammari , Thomas Widlak , Wenlong Zhang

The effect of interactions on dynamics of coupled motor proteins is investigated theoretically. A simple stochastic discrete model, that allows to calculate explicitly the dynamic properties of the system, is developed. It is shown that…

Soft Condensed Matter · Physics 2009-11-11 Evgeny B. Stukalin , Anatoly B. Kolomeisky

Molecular polaritons are hybrid states of photonic and molecular character that form when molecules strongly interact with light. Strong coupling tunes energy levels and importantly, can modify molecular properties (e.g. photoreaction…

Chemical Physics · Physics 2023-02-14 Francesca Fassioli , Kyu Hyung Park , Sarah E. Bard , Gregory D. Scholes

The growing interest for comparing protein internal dynamics owes much to the realization that protein function can be accompanied or assisted by structural fluctuations and conformational changes. Analogously to the case of functional…

Biomolecules · Quantitative Biology 2012-12-19 C. Micheletti

Optical nonlinearities - how light-matter interactions are influenced by previous interactions with photons, are key resources in the contemporary photonics toolbox, relevant to quantum gate operations and all-optical switches. Optical…

Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one…

Biomolecules · Quantitative Biology 2016-08-02 Irem Altan , Patrick Charbonneau , Edward H. Snell

Conventional approaches to probing ultrafast molecular dynamics rely on the use of synchronized laser pulses with a well-defined time delay. Typically, a pump pulse excites a wavepacket in the molecule. A subsequent probe pulse can then…

Mesoscale and Nanoscale Physics · Physics 2020-03-27 R. E. F. Silva , Javier del Pino , Francisco J. García-Vidal , Johannes Feist

The spatial organization of complex biochemical reactions is essential for the regulation of cellular processes. Membrane-less structures called foci containing high concentrations of specific proteins have been reported in a variety of…

Single molecule microscopy has proven to be an effective tool to characterize the fluorophore-plasmonic structure interaction. However, as specific information is hidden in the emission, sophisticated evaluation is required. Here we…

Optics · Physics 2024-01-11 T. Novák , P. Bíró , Gy. Ferenc , D. Ungor , E. Czvik , Á. Deák , L. Janovák , M. Erdélyi

Cell polarity and movement are fundamental to many biological functions. Experimental and theoretically studies have indicated that interactions of certain proteins lead to the cell polarization which plays a key role in controlling the…

Dynamical Systems · Mathematics 2022-08-12 Shuang Liu , Li-Tien Cheng , Bo Li

Photonic molecules, named by analogy with chemical molecules, are clusters of closely located electromagnetically interacting microcavities or "photonic atoms". As two or several microcavities are brought close together, their optical modes…

Optics · Physics 2015-05-13 Svetlana V. Boriskina , Trevor M. Benson , Phillip Sewell

When the interaction between a molecular system and confined light modes in an optical or plasmonic cavity is strong enough to overcome the dissipative process, hybrid light-matter states (polaritons) become the fundamental excitations in…

Mesoscale and Nanoscale Physics · Physics 2020-01-08 Yu Zhang , Tammie Nelson , Sergei Tretiak
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