Results 21 to 30 of about 1,038,801 (318)

From molecular dynamics to Brownian dynamics [PDF]

Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2014
Three coarse-grained molecular dynamics (MD) models are investigated with the aim of developing and analysing multi-scale methods which use MD simulations in parts of the computational domain and (less detailed) Brownian dynamics (BD) simulations in the remainder of the domain. The first MD model is formulated in one spatial dimension.
openaire   +4 more sources

Differential molecular response in mice and human thymocytes exposed to a combined-dose radiation regime

Scientific Reports, 2022
In the quest for more effective radiation treatment options that can improve both cell killing and healthy tissue recovery, combined radiation therapies are lately in the spotlight.
Pilar López-Nieva, Iria González-Vasconcellos, Laura González-Sánchez, María A. Cobos-Fernández, Sara Ruiz-García, Raúl Sánchez Pérez, Ángel Aroca, José Fernández-Piqueras, Javier Santos   +8 more
doaj   +1 more source

Two-dimensional electronic spectroscopy of bacteriochlorophyll a with synchronized dual mode-locked lasers

Nature Communications, 2020
Multidimensional electronic spectroscopy techniques still have many limitations. Here, the authors introduce a 2D electronic spectroscopy technique that uses broadband, synchronized mode-locked lasers to study dynamics on a wide range of timescales.
JunWoo Kim, Jonggu Jeon, Tai Hyun Yoon, Minhaeng Cho   +3 more
doaj   +1 more source

Size Effects in a Silica-Polystyrene Nanocomposite: Molecular Dynamics and Surface-enhanced Continuum Approaches [PDF]

, 2014
Size effects in a system composed of a polymer matrix with a single silica nanoparticle are studied using molecular dynamics and surface-enhanced continuum approaches.
LIU, Shengyuan, MULLER-PLATHE, Florian, DAVYDOV, Denis, CHATZIGEORGIOU, George, Mueller-Plathe, Florian, Chatzigeorgiou, Georges, Boehm, Michael C., VOYIATZIS, Evangelos, STEINMANN, Paul, BOHM, Michael C.   +9 more
core   +1 more source

Molecular dynamics for fermions [PDF]

Reviews of Modern Physics, 2000
97 pages, 13 postscript figures. To be published in July 2000 issue of Reviews of Modern Physics. More information at http://www-aix.gsi.de/~fmd/
Feldmeier, Hans, Schnack, Jürgen
openaire   +3 more sources

Mechanism of Ostwald Ripening in 2D Physisorbed Assemblies at Molecular Time and Length Scale by Molecular Dynamics Simulations [PDF]

, 2018
Ostwald ripening can improve the long-range order of self-assembled monolayers by the growth of large domains and disassembly of smaller ones. Here, coarse-grained molecular dynamics simulations are used to study the dynamics of the stable assembly and ...
De Vries, Alex H., van Esch, J.H., Steven De Feyter (1302555), Jan H. van Esch (1235280), Piskorz, T.K. (author), Piskorz, Tomasz K., Alex H. de Vries (226821), De Vries, Alex H. (author), van Esch, J.H. (author), Piskorz, T.K., van Esch, Jan H., de Vries, Alex H.; id_orcid, Tomasz K. Piskorz (1318296), De Feyter, Steven (author), De Feyter, Steven   +14 more
core   +1 more source

A review of recent developments in molecular dynamics simulations of the photoelectrochemical water splitting process [PDF]

, 2021
In this review, we provide a short overview of the Molecular Dynamics (MD) method and how it can be used to model the water splitting process in photoelectrochemical hydrogen production.
Ionut Tranca, Nedea, Silvia, Vasilateanu, Andrei, Nicolae Goga, Goga, N., Andrei Vasilateanu, Heijmans, Koen, Leonhard Mayrhofer, Koen Heijmans, Ponnuchamy, V., Goga, Nicolae, Mayrhofer, Leonhard, Tranca, I., Heijmans, K., Mayrhofer, L., Veerapandian Ponnuchamy, Ponnuchamy, Veerapandian, Vasilateanu, A., Tranca, Ionut, Silvia Nedea, Nedea, S.   +20 more
core   +1 more source

Exploiting volumetric wave correlation for enhanced depth imaging in scattering medium

Nature Communications, 2023
The authors achieve ultrahigh resolution and depth volumetric imaging in complex media by recording a volumetric reflection matrix covering individual wavelengths and angles and developing reconstruction algorithms based on volumetric wave correlation.
Ye-Ryoung Lee, Dong-Young Kim, Yonghyeon Jo, Moonseok Kim, Wonshik Choi   +4 more
doaj   +1 more source

Excitonic Bloch–Siegert shift in CsPbI3 perovskite quantum dots

Nature Communications, 2022
Observation of a Bloch-Siegert shift has remained elusive. Here, Wu et al, reports spin-selective Bloch-Siegert shift in lead halide perovskite quantum dots, and highlights the importance of many-body interactions in correctly modeling the shift.
Yuxuan Li, Yaoyao Han, Wenfei Liang, Boyu Zhang, Yulu Li, Yuan Liu, Yupeng Yang, Kaifeng Wu, Jingyi Zhu   +8 more
doaj   +1 more source

On the dynamics of molecular conformation [PDF]

Proceedings of the National Academy of Sciences, 2006
Understanding the mechanism of fast transitions between conformed states of large biomolecules is central to reconciling the dichotomy between the relatively high speed of metabolic processes and slow (random-walk based) estimates on the speed of biomolecular processes.
openaire   +2 more sources