Example services we can provide in following sections
Molecular Graphics and Visualization
Example: a combined rendering (in 3D seen from a plane side of the rectangle) of a putative binding of insulin hormones to its cognate receptor, formed from various 3D molecular structural data-coordinates and rendered in VMD.
Wittler, H.P.A., 2019.A Molecular Dynamics Analysis of Insulin(Doctoral dissertation, La Trobe).
Data Querying, Analysis and Visualisation
Tools
Pandas
Dask
Matplotlib
...
Computer Processing Units
CPUs
GPUs
(QPUs)
...
Code and Algorithm Development and Acceleration
Work towards code being faster and refined for running better on Graphical Processing Units and Central Processing units.
Preliminary development towards running code on Quantum Processing Units.
Implement algorithmic tools for various problems.
Machine Learning in particular Graph Machine Learning.
Programming Languages
Python
Tcl/Tk
R
C++
Fortran
...
GPU Acceleration
CUDA - Nvidia
ROCm - AMD
QPU Acceleration
Qristal - Quantum Brilliance
AI Tools
GNNs
Pytorch
PyG
Orange
Rapids
...
Detector and Sensor Coding and Characterization
Auxiliary work related to computational simulation, visualisation and coding, data and signal analysis, detector overview, noise analysis, data acquisition systems.
Simulated reconstruction of a gold sample (most right) from its diffraction pattern with added noise to detector (most left) and phase (middle), simulated technique Fresnel Coherent Diffractive Imaging.
Wittler, H.P.A., 2012.
Effectiveness of Iterative Algorithms for Recovering Phase in the Presence of Noise for Coherent Diffractive Imaging (M. Sc. dissertation).
Wittler, H.P.A. Riessen G, Jones M. 2016.
The influence of noise on image quality in phase-diverse coherent diffraction imaging, Journal of Optics.
Tools
Computational Simulation and Data-Analysis
Electronics
Oscilloscope
Arduino
LabView
Root
DAQs- Schematics
...
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