Publication

Molecular dynamics investigations of modulated phases in organic materials

Related publications (40)

Graph Chatbot

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

The developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments sp ...

Washington2023

Advancing first principle-based molecular dynamics of biological systems with machine learning

François Louis Mouvet

Molecular dynamics (MD) simulations have emerged as a transformative approach to analyse molecular systems at the atomic level, offering valuable insights into complex biological processes. Many biological phenomena can only accurately be described by inco ...

EPFL2023

The emergence of small-scale self-affine surface roughness from deformation

Till Junge

Most natural and man-made surfaces appear to be rough on many length scales. There is presently no unifying theory of the origin of roughness or the self-affine nature of surface topography. One likely contributor to the formation of roughness is deformati ...

AMER ASSOC ADVANCEMENT SCIENCE2020

Unsupervised landmark analysis for jump detection in molecular dynamics simulations

Nicola Marzari, Boris Kozinsky, Leonid Kahle, Albert Daniel Musaelian

Molecular dynamics is a versatile and powerful method to study diffusion in solid-state ionic conductors, requiring minimal prior knowledge of equilibrium or transition states of the system's free energy surface. However, the analysis of trajectories for r ...

AMER PHYSICAL SOC2019

A combined on-the-fly/interpolation procedure for evaluating energy values needed in molecular simulations

Jiri Vanicek, Konstantin Karandashev

We propose an algorithm for molecular dynamics or Monte Carlo simulations that uses an interpolation procedure to estimate potential energy values from energies and gradients evaluated previously at points of a simplicial mesh. We chose an interpolation pr ...

2019

High sensitivity field asymmetric ion mobility spectrometer

Jürgen Brugger, Giovanni Boero, Philippe Marmillod, Alessandro Valentino Matheoud, Mario Andres Chavarria Varon

A high sensitivity field asymmetric ion mobility spectrometer (FAIMS) was designed, fabricated, and tested. The main components of the system are a 10.6 eV UV photoionization source, an ion filter driven by a high voltage/high frequency n-MOS inverter circ ...

American Institute of Physics2017

Classical molecular dynamics is more and more often coupled to quantum mechanical based techniques as a statistical tool to sample configurations of molecular systems embedded in complex environments. Nonetheless, the classical potentials describing the mo ...

Amer Chemical Soc2017

Fano-resonance-assisted metasurface for color routing

Olivier Martin, Chen Yan, Kuang-Yu Yang

Controlling the phase of an electromagnetic field using plasmonic nanostructures provides a versatile way to manipulate light at the nanoscale. Broadband phase modulation has been demonstrated using inhomogeneous metasurfaces with different geometries; how ...

2017

, ,

Shaping of light behind masks using different techniques is the milestone of the printing industry. The aerial image distribution or the intensity distribution at the printing distances defines the resolution of the structure after printing. Contrast and p ...

Spie-Int Soc Optical Engineering2016

Gyrotron physics from linear to chaotic regimes: experiment and numerical modeling

Falk Hans Braunmüller

Gyrotrons belong to the family of high-power coherent radiation sources known as Electron Cyclotron Masers (ECMs) and are based on the physical mechanism of the ECM-instability, converting electron rotational kinetic energy into coherent electromagnetic ra ...

EPFL2016