Sort by
Refine Your Search
-
Listed
-
Category
-
Country
-
Program
-
Field
-
at the molecular scale. Grand Canonical Monte Carlo (GCMC) simulations will be performed to predict adsorption isotherms and selectivities. Molecular dynamics simulations will be used to investigate diffusion
-
interactions, supporting the design of next-generation antimicrobial materials. The role will involve performing molecular dynamics simulations and computational modelling to investigate interactions between
-
and implant models Histology, advanced microscopy, and micro-computed tomography Spatial transcriptomics as well as molecular and bioinformatic analyses The candidate will work in a highly
-
, Ultra-cold gases, quantum optics, and quantum information , ultracold quantum gases , Ultrafast Molecular Dynamics , Ultrafast Physical Chemistry , Ultrafast Science , Unconventional and topological
-
on simulating nanoalloy structures to create a database for materials characterization. The main tasks include running molecular dynamics and Monte Carlo simulations to model nanoalloys under various
-
and other complex fluids using molecular simulations. In order to make these simulations more computationally feasible, development of coarse-grained models and new Monte Carlo or molecular dynamics
-
therapeutic strategies. - DNA-protéines complexes modeling - Molecular dynamics simulations of biomolecules - Enhanced sampling techniques (Steered MD, Gaussian Accelerated MD) - HPC resources use - Scientific
-
The University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | 8 days ago
biophysics/chemistry. Programming skills (e.g., bash scripting, python, Fortran, C++ and CUDA), expertise in computational modeling (such as Molecular Dynamics, virtual screening, free energy calculations and
-
simulations. Two complementary strategies will be employed: structure-based virtual screening (docking simulations + molecular dynamics) and ligand-based virtual screening (machine learning models). We have
-
combines state-of-the-art computational multiscale modelling (using DFT/TDDFT methods, collision theory, molecular dynamics, stochastic dynamics, Monte Carlo and analytical methods) and its thorough