Complex Software for GPU HPC

GPU Remote Desktops for Complex Software

Run your complex software in the Cloud from a Miranex GPU-accelerated remote desktop with NVIDIA Tesla technology.

Miranex host and HPC servers for your complex applications for use in Simulation, CFD, Artificial Intelligence, Machine Learning and Deep Learning.

Speed up simulation, scale up easily and access your work securely from anywhere in the World.

Our partner NVIDIA are the global leaders in GPU technology and have been  advancing software techniques in many industries for years. Below is a table listing a sample of the complex software that are supported by Miranex GPU Remote Desktops.

Please use CTRL+F to find your software on this page or download the full list.

If you can’t see your software, it will probably still be possible to use it on a virtual desktop so please get in touch for a FREE TRIAL.

NVIDIA supported Software List

Manufacturing: CAD and CAE


Altair AcuSolve General purpose CFD software
ANSYS – Fluent General purpose CFD software
Autodesk – Moldflow Plastic mold injection software
ANSYS – Polyflow CFD software for the analysis  of polymer and glass processing
CPFD Barracuda-VR and


Fluidized bed modelling software
DHI – MIKE 21 2D hydrological modelling of coast and sea
DHI – MIKE FLOOD 1D & 2D urban, coastal,  and riverine flood modelling
FluiDyna aeroFluidX Incompressible single-phase CFD software
FluiDyna – Culises for


Solver library  for general purpose CFD


FluiDyna nanoFluidX General purpose CFD software
FluiDyna ultraFluidX General purpose CFD software
midas NFX(CFD) General purpose CFD software based on


Numeca Fine/ Turbo software product—a structured, multi-block,  multi-grid CFD solver targeting the turbo machinery industry
Prometech – Particleworks Particle-based CFD software
Turbostream Ltd. CFD software for turbo machinery flows
Vratis Speed IT FLOW Incompressible single-phase CFD software
Vratis SpeedIT for


Solver library  for general purpose CFD


Research CFD Developments


DualSPHysics SPH-based  CFD software
FEFLO (GMU – Lohner) General purpose CFD software for compressible and incompressible flows
GIN3D (Boise St – Senocak) General purpose CFD software for incompressible flows
HiFiLES (Stanford – Jameson) General purpose CFD software for compressible flows.
HiPSTAR (University of Southampton – Sandberg) CFD software for compressible reacting flows
JENRE, Propel (NRL) CFD software for compressible flows
NASA FUN3D General purpose CFD software
PyFR (Imperial College – Vincent) General purpose CFD software for compressible flows.
S3D (Sandia and Oak

Ridge NL)

Direct numerical solver (DNS) for turbulent combustion



Altair OptiStruct Industry proven, modern structural analysis solver and solution for structural design and optimization.
Altair RADIOSS Implicit Simulation and analysis  tool for structural mechanics
ANSYS – Mechanical Simulation and analysis  tool for structural mechanics
Dassault Systèmes SIMULIA Abaqus/ Standard Simulation and analysis  tool for structural mechanics
Dassault Systèmes


Realistic simulation solution (Uses Abaqus

Standard for GPU computing).

Impetus Afea Predicts  large deformations of structures and components exposed to extreme loading conditions.
LS-DYNA Implicit Simulation and analysis  tool for structural mechanics
midas GTS NX Simulation tool for geo-technical analysis
midas NFX(Structural) Simulation and analysis  tool for structural mechanics
MSC – Marc Simulation and analysis  tool for structural mechanics
MSC Nastran Simulation and analysis  tool for structural mechanics
Rocky DEM Discrete Element Modelling (DEM)-based particle simulation software.
Siemens NX Nastran Simulation and analysis  tool for structural mechanics.



Allegorithmic Substance


Material shader edition, market reference for procedural texture creation.
Allegorithmic Substance


Intuitive interactive 3D painting software with physics and particle support.
Autodesk – AutoCAD 2D and 3D CAD design, drafting, modelling, architectural  drawing, and engineering software.  Supports Open GL. Native DWG™ support.
Autodesk – AutoCAD Design Suite AutoCAD 2014 software, plus tools to create, capture, connect, and showcase designs.
Autodesk – 3ds Max 3D animation creative toolset for modelling, animation, simulation, and rendering for product and building designs.
Autodesk – Inventor 3D mechanical design, documentation, and product simulation.
Autodesk – Revit Building Information Modelling (BIM) for architecture, engineering, and construction.
Chaos Group – V-Ray RT GPU renderer
Cast Software – WYSIWYG The WYSIWYG software products, designed specifically for lighting professionals, offers a range of solutions to meet the needs of designers, assistants, electricians, console operators, teachers, and students.
Dassault Systèmes – CATIA Accelerated UI rendering
Dassault Systèmes – CATIA Live Rendering Realistic 3D Rendering on full CATIA 3D CAD model
Dassault Systèmes –


Redefines high-end 3D visualization and realtime interaction. This latest version gives users  a broad suite of robust new features to truly revolutionize processes

and help increase visual quality, speed, and flexibility.

Dassault Systèmes – SOLIDWORKS Covers all aspects of product development process with a seamless, integrated workflow—design, verification, sustainable design, communication and data management.
Dassault Systèmes – SOLIDWORKS Visualize Easy to use photorealistic rendering software
NVIDIA Iray A ready-to-integrate, physically-based, photorealistic rendering solution.
Otoy – Octane Render GPU renderer
PTC Creo Parametric Parametric design solution suite.
Siemens PLM Software

NX and Teamcenter

Product lifecycle management solutions from design to simulation to production to service.
Top Systems T-FLEX CAD 3D and 2D parametric design, simulation, photorealistic rendering
VRED VRED™ 3D visualization software helps automotive designers and engineers create product presentations, design reviews, and virtual prototypes. Use Digital Prototyping to quickly visualize ideas and evaluate designs.

Oil and Gas


Acceleware AxRTM AxKTM Seismic processing
BRS Labs AISight for


Proactive integrity management and real- time precursor  alerts  for enhanced SCADA operations in oil and gas.
CGG- GeoVation Seismic processing
CGG- Inside Earth Seismic interpretation
Echelon Stoneridge


Reservoir simulator
Esri ArcGIS for Desktop

(ArcMap and ArcGIS Pro)

– Spatial Analyst and 3D Analyst

Determines the raster surface locations visible to a set of observer features, using geodesic methods.
ffA Geoteric Seismic interpretation
ffA SEA3D Pro Seismic interpretation
ffA SVI Pro Seismic interpretation
GeoMage Multifocusing Seismic processing
HUE Headwave Suite Seismic interpretation
HUE HUEspace Seismic interpretation
OpenGeo Solutions


Seismic processing
Panorama Tech Seismic processing, Modelling
Paradigm Echos RTM Seismic processing
Paradigm Geophysical


Seismic interpretation
Paradigm SKUA Reservoir modelling
PumaFlow IFP Reservoir simulation
Ridgeway Kite Simulator Reservoir simulation
Roxar RMS Reservoir modelling
Schlumberger Omega2


Seismic processing
Seismic City Prestack


Seismic processing
SpectraSeis Seismic processing
Stoneridge Technologies


Reservoir simulation
Tsunami A2011 Seismic processing/Imaging package
Tsunami RTM Seismic processing



Brainstorm – eStudio Virtual sets and motion graphics
ChyronHego – GS2

Graphics Engine

On-air graphics
ChyronHego – Mosaic On-air graphics
ChyronHego On-air graphics and virtual sets
Cinegy – Type On-air Graphics
Dalet – Cube On-air Graphics
Grass Valley – Vertigo On-air Graphics
Imagine Communications

– Nexio Channelbrand

On-air graphics
Imagine Communications

– Nexio G8

On-air graphics
Imagine Communications

– Nexio TitleOne

On-air graphics
Monarch – Brodcaast

Dscript 3D

3D on-air graphics
Monarch – Virtuoso Virtual sets and motion graphics
Pixel Power – Clarity On-air graphics
RT Software – tOG On-air graphics
Vizrt – Viz Engine On-air graphics and virtual sets
Wasp3D – CG On-air graphics and virtual sets

Medical Imaging


PowerGrid Advanced MRI reconstruction modelling

Visualization and Docking


Amira® A multifaceted software platform for visualizing, manipulating, and understanding Life Science and bio-medical data.
BINDSURF A virtual screening methodology that uses

GPUs to determine protein binding sites.

BUDE Molecular docking program
FastROCS Molecule shape comparison application
Interactive Molecule


Experimental interactive molecule visualizer  based on a ray-tracing engine.
Molegro Virtual Docker 6 Method for performing high accuracy flexible molecular docking.
PaPaRa 2.0 A Vectorized Algorithm for Probabilistic

Phylogeny-Aware Alignment Extension.

PIPER Protein Docking Protein-protein docking program
PyMol User-sponsored molecular visualization system on an open-source foundation
VEGA ZZ Molecular Modeling Toolkit
VMD Visualization and analyzing large bio- molecular systems in 3-D graphics

Defence and Intelligence

Comprimato JPEG2000


A high performing, GPU powered, JPEG2000 encoder and decoder SDK which can be integrated into almost any application.
DigitalGlobe – Advanced

Ortho Series

Geospatial visualization
Elcomsoft High-performance distributed password recovery software with NVIDIA GPU acceleration and scalability to over 10,000 workstations.
Esri ArcGIS for Desktop

(ArcMap and ArcGIS Pro)

– Spatial Analyst and 3D Analyst

Determines the raster surface locations visible to a set of observer features, using geodesic methods.
Eternix – Blaze Terra Geospatial visualization
GeoWeb3d Desktop Geospatial visualization
GPUdb Multi-GPU,  Multi-Machine distributed object store providing SQL style query capability, advanced geospatial query capability,heatmap generation, and distributed rasterization services.
Harris ENVI Image Processing and Analytics
Herta Security – BioSurveillance NEXT, BioFinder Real time facial recognition and forensic alerts  against multiple watchlists.
Intergraph Motion Video


Video filters and mosaic’ing – Geo-fuses

FMV analytics with intelligence data.

Intuvision Panoptes 3.0 Video analytics
LuciadLightspeed Geospatial visualization and analysis
Manifold Systems Full-featured GIS, vector/raster  processing

& analysis

MotionDSP – Ikena ISR Real-time full motion video (FMV) and wide- area motion imagery (WAMI) enhancement and computer-vision-based analytics software for intelligence analysts
NerVve Visual Search

Solution (NVSS)

Video/Image Live and Forensic Search
OpCoast SNEAK Electromagnetic signals propagation modelling for complex urban and terrain environments.
PCI Geomatics GXL Image processing
Skyline Software – Terrabuilder PhotoMesh PhotoMesh integrates a GPU-based, fast algorithm, able to automatically build

3D models from simple photographs. PhotoMesh revolutionizes the use of geospatial data by fully automating the generation of high-resolution, textured, 3D mesh models from standard 2D images.

SocetGXP – BAE Systems The Automatic Spatial Modeler (ASM) is designed to generate 3-D point clouds

with accuracy similar to LiDAR, which can extract 3-D objects from stereo images. ASM can extract dense 3-D point clouds from stereo images, and extract accurate building edges and corners from stereo

images with high resolution, large overlaps, and high dynamic range.

SynerScope Big data visualization and data discovery, for combining Analytics on Analytics with IoT compute-at-the-edge smart sensors.

Safety & Security


Cognika – Perseus Real-Time Alerting and Visual Search for

Fixed and PTZ Cameras

Genetec – Security

Center 5.3

GPU accelerated decode & rendering enables the display of more high-resolution streams from a single workstation, as well as enhancing video playback performance.
Herta Security – BioSurveillance NEXT, BioFinder Real time facial recognition and forensic alerts against multiple watch lists.
iCetana – iMotionFocus Intelligent analysis of video on 1,000+ camera streams  to significantly filter  and reduce the camera streams  requiring an operator view.
intuVision – intuVision VA Real-time alerts and data reporting from use cases include Security, Traffic, Retail and Parking,  Analysis of video streams  in real-time and on archived video at up to 20x real-time speeds.
IQrity Inc. – IQrity RTFace

-300/600, IQrity LDFace

– 800

Deep Learning facial recognition SDK with 25 bytes template for real-time identification applications and large-scale IdM solutions
Macroscop Open-platform video management software for scalable IP video surveillance systems with advanced video analytics.
Mi-AccLib Accelerated library for video analysis on video surveillance.
MotionDSP – Ikena

Forensic, Ikena Spotlight

Real-time (render-less) super-resolution- based video enhancement and redaction software for forensic analysts  and law enforcement professionals
NEC NeoFace® Watch Face recognition for real-time video surveillance and offline search compared against multiple watch-lists.
Nervve – Visual Search

Solution (NVSS)

High speed visual search and analysis
Network Optix – Nx


IP video management system designed

for auto discovering, managing, recording,

analyzing and searching thousands of video

streams  at the same time

Smilart Platform Real-time face recognition in cooperative and uncooperative scenarios adaptable for a multitude of applications to detect, identify or verify people and objects.

Computational Finance

Aon Benfield Pathwise™ Specialized platform for real-time hedging, valuation, pricing and risk management
Altimesh’s Hybridizer C# Multi-target C# framework for data parallel computing.
Elsen Accelerated

Computing Engine (TM)

Secure,  accessible,  and accelerated back- testing, scenario analysis, risk analytics and real-time trading designed for easy integration and rapid development.
Global Valuation Esther In-memory risk analytics system for OTC portfolios with a particular  focus on XVA metrics and balance sheet simulations.
Hanweck Associates Real-time options analytical engine (Volera)
MiAccLib 2.0.1 Accelerated libraries which encompasses high speed multi-algorithm search engines, data security engine and also video analytics engines for text processing, encryption/ decryption and video surveillance respectively.
MISYS Global Risk Regulatory compliance and enterprise wide risk transparency package
Murex MACS Analytics


Analytics library  for modeling valuation and risk for derivatives across  multiple asset classes
Numerical Algorithms

Group (NAG)

Random number generators, Brownian bridges, and PDE solvers
QuantAlea’s Alea.cuBase


F# package enabling a growing set of F#

capability to run on a GPU

RMS Catastrophic risk modeling for FSI (earthquakes,  hurricanes, terrorism, infectuous diseases)
SciComp, Inc Derivative pricing (SciFinance)
SunGard- Adaptiv


A flexible and extensible engine for fast calculations of a wide variety of pricing and risk measures  on a broad range of asset classes and derivatives.
Synerscope- Synerscope

Data Visualization

Visual big data exploration and insight tools
Tanay ZX Lib (Fuzzy


Financial analytics and data mining library
Xcelerit SDK Software Development Kit (SDK) to boost the performance of Financial applications (e.g. Monte-Carlo, Finite-difference) with minimum changes to existing code.

Climate Weather and Ocean Modelling

ACME-Atmosphere Global atmospheric model
COSMO Regional numerical weather prediction and climate model

Deep Learning and Machine Learning


BidMach GPU-accelerated  classical machine learning library
Caffe The Caffe deep learning framework makes implementing state-of-the-art deep learning easy.
Caffe* Parallel This is a faster  framework for deep learning, it’s forked from BVLC/caffe (master branch). This allows data-parallel via MPI.
Clarifai Clarifai brings a new level of understanding to visual content through deep learning technologies.  Clarifai uses GPUs to train large neural networks to solve practical problems in advertising, media, and search across  a wide variety of industries.
Chainer DL framework that makes the construction of neural networks (NN) flexible and intuitive.
CNTK Microsoft’s  Computational Network Toolkit (CNTK) is a unified computational network framework that describes deep neural networks as a series of computational steps via a directed graph.
Deeplearning4j Deeplearning4j is the most popular deep learning framework for the JVM, and includes all major neural nets such as convolutional, recurrent (LSTMs)  and feedforward.
Dextro Dextro’s API uses deep learning systems to analyse and categorize videos in real-time.
IntelligentVoice Far more than a transcription tool, this speech recognition software learns what is important in a telephone call,

extracts information and stores a visual representation of phone calls  to be combined with text/instant messaging and E-mail. Intelligent Voice’s search and alert makes it possible to tackle issues  before they arise, address data security concerns and monitor physical access to data.

Labellio The world’s easiest deep learning web service for computer vision, which allows everyone to build own image classifier with only web browser.
MatConvNet CNNs for MathWorks MATLAB, allows you

to use MATLAB GPU support natively rather

than writing your own CUDA code

MetaMind Provides a deep learning API for image recognition and text sentiment analysis. Uses either prebuilt, public, or custom classifiers.
Neon Neon is a fast,  scalable,  easy-to-use  Python based deep learning framework that has been optimized down to the assembler

level. Neon features a rich set of example and pre-trained models for image, video, text, deep reinforcement learning and speech applications.

Theano Theano is a symbolic expression compiler that powers large-scale computationally intensive scientific investigations.
Tensorflow Google’s TensorFlow is an open source software library  for numerical computation using data flow graphs. Nodes in the

graph represent mathematical operations, while the graph edges represent the multidimensional data arrays (tensors) communicated between them.

Torch7 Torch7 is an interactive development environment for machine learning and computer vision.
Trakomatic OSense, Otrack Video Analytics Solution for retail, supermarkets, shopping mall and banking.



Adobe – SpeedGrade CC Colour grading
ARRI – RAW Converter RAW de-Bayering and primary colour grading
Assimilate – Scratch Colour grading and finishing
Blackmagic Design – DaVinci Resolve Colour grading and editing
Canon – Cinema RAW SDK RAW de-bayering
Cinnafilm – Dark Energy Application and plug-in for image enhancement
Digital Vision – Nucoda Colour grading
Fastvideo – Fast

CinemaDNG Processor

RAW video debayering, denoising and colour correction completely on GPU side
Fastvideo – GPU Debayer High performance GPU debayer
Filmlight – Baselight Colour grading
Marquise Technologies

– Rain

Colour grading
Red Digital Cinema – REDCINE-X PRO Primary colour grading
Red Giant – Magic Bullet


Colour and finishing tools
Snell Advanced Media – Pablo Rio Colour grading and finishing
SGO – Mistika Colour grading and finishing
The Foundry – COLORWAY Colour grading
The Pixel Farm PFClean Image restoration and remastering
Wavelet Beam – Grain and Noise Reducer Video noise reduction



Adobe – Photoshop CC Image editing
Adobe – Premiere Pro CC Video editing
Apple – Final Cut Pro Video editing
Autodesk – Smoke Finishing and editing
Avid – Media Composer Video editing
EditShare – Lightworks Video editing
Grass Valley – Edius Pro Video editing
Imagine Communications

– Velocity

Video editing
Snell Advanced Media – Qube Broadcast video editing
Sony – Catalyst Browse, Prepare and Edit Video editing
Sony – Vegas Pro Video editing


ArcVideo – Core Video processing and transcoding
ArcVideo – Live High-density, real-time video processing and encoding.
Cinnafilm – Tachyon Standards conversion
Comprimato – JPEG2000


JPEG2000 encoding and decoding for DCP, IMF, video editing, broadcast contribution, and archiving.
Dalet – Amberfin Transcoding and video quality analysis
Elemental – Elemental


Live streaming video processing and encoding
Elemental – Elemental


File-based  video processing and encoding
ERLAB – Multiplatform


Video processing and encoding software
Fastvideo – GPU Image

Processing SDK

Full image processing pipeline on CUDA
Fastvideo – H.264 encoder H.264 encoding on GPU
Fastvideo – SDK JPEG, JPEG2000,  Raw Bayer codecs
Interra – Baton Video quality analysis
isovideo – Viarte Video standards conversion
METUS – Ingest Video recording, transcoding, and streaming software.
Root6 – Content Agent Automated transcoding and workflow management
Sorenson Media – Squeeze Video transcoding application and plug-In
Snell Advanced Media – Alchemist on Demand Video standards conversion
Tektronix – Aurora Automated video quality measurement
Telestream – Vantage


Video transcoding and processing
Wowza – Transcoder H.264 video encoding



Autodesk – RV Review and approval of 4K content
3ality Technica – Intellicam 3D stereo camera adjustment
Binocle3D – Disparity


3D stereoscopic workflow
Blackmagic Design – Dimension 3D stereoscopic workflow
BlueFish – Fluid 4K Review Review and approval of 4K content
Colorfront – On-Set


Review, colour grading and transcoding on set
Lightcraft – Previzion On-set virtual production
MTI Film – Cortex Dailies Review, colour grading and transcoding on set
The Pixel Farm – PFTrack 3D scene creation and tracking



Accuweather – Cinemative HD Weather graphics
Accuweather – Storyteller Weather graphics
ChyronHego – Metacast Weather graphics
MeteoGraphics – MeteoEarth Weather graphics
WSI – Max Weather Weather graphics
Accuweather – Cinemative HD Weather graphics
Accuweather – Storyteller Weather graphics
ChyronHego – Metacast Weather graphics
MeteoGraphics – MeteoEarth Weather graphics

Research: Higher Education and Supercomputing




Arioc High-throughput read alignment with GPU- accelerated exploration of the seed-and- extend search space
BarraCUDA Sequence mapping software
BEAGLE-lib BEAGLE is a high-performance library that can perform the core calculations at the heart of most Bayesian and Maximum Likelihood phylogenetics packages. It can

make use of highly-parallel processors  such as those in graphics cards (GPUs) found in many PCs.

Campaign An open-source library of GPU-accelerated data clustering algorithms and tools.
CUDASW++ Open source software for Smith-Waterman protein database searches on GPUs.
CUSHAW Parallelized short read aligner
G-BLASTN GPU-accelerated  nucleotide alignment tool based on the widely used NCBI-BLAST.
GPU-Blast Local search with fast k-tuple heuristic
mCUDA-MEME Ultrafast scalable motif discovery algorithm based on MEME .
MUMmer GPU High-throughput local sequence alignment program
NVBIO NVBIO is an open source C++ library of reusable components designed to accelerate bioinformatics applications using CUDA.
NVBowtie A largely complete implementation of the

Bowtie2 aligner on top of NVBIO.

PEANUT Read mapper for DNA or RNA sequence reads to a known reference genome.
REACTA A modified version of GCTA with improved computational performance, support for Graphics Processing Units (GPUs), and additional features. The purpose of REACTA is to quantify the contribution of genetic variation to phenotypic variation for complex traits.
SeqNFind SeqNFind®  is a powerful tool suite that addresses  the need for complete and accurate alignments of many small sequences against entire genomes utilizing a unique hardware/software cluster system for facilitating bioinformatics research in Next Generation sequencing and genomic comparisons.
SOAP3 GPU-based software for aligning short reads with a reference sequence.  It can find all alignments with k mismatches, where k is chosen from 0 to 3.
SOAP3-dp SOAP3-dp: Ultra-fast GPU-based tool for short read alignment via index-assisted dynamic programming.
UGene Open source Smith-Waterman for SSE/ CUDA, Suffix array  based repeats finder and dotplot.
WideLM Fits numerous linear models to a fixed design and response.

Molecular Dynamics


ACEMD GPU simulation of molecular mechanics force fields,  implicit and explicit solvent
AMBER Suite of programs to simulate molecular dynamics on biomolecule.
CHARMM MD package to simulate molecular dynamics on biomolecule.
DESMOND High-speed molecular dynamics simulations of biological systems.
ESPResSo Highly versatile  software package for performing and analysing scientific Molecular Dynamics many-particle simulations of coarse-grained  atomistic

or bead-spring models as they are used in soft-matter research in physics, chemistry and molecular biology.

Folding@Home A distributed computing project that studies protein folding, misfolding, aggregation, and related diseases. A distributed computing project that uses

GPUs for molecular simulations.

GROMACS Simulation of biochemical molecules with complicated  bond interactions.
HALMD Large-scale simulations of simple and complex liquids.
HOOMD-Blue Particle dynamics package written grounds up for GPUs.
LAMMPS Classical molecular dynamics package
MELD OpenMM plugin written for GPUs
NAMD Designed for high-performance simulation of large molecular systems.
OpenMM Library  and application for molecular dynamics for HPC with GPUs.
PolyFTS Classical molecular simulation code

for studying polymer self-assembly and


SOP-GPU SOP-GPU package, where SOP stands for the Self Organized Polymer Model fully implemented on a GPU, is a scientific software package designed to perform Langevin Dynamics Simulations of

the mechanical or thermal unfolding, and mechanical indentation of large biomolecular systems in the experimental subsecond (millisecond-to-second) timescale.

SOAP3-dp SOAP3-dp: Ultra-fast GPU-based tool for short read alignment via index-assisted dynamic programming.

Quantum Chemistry


Abinit Allows to find total energy, charge density and electronic structure of systems made of electrons and nuclei within DFT.
ACES III Takes  best features of parallel implementations of quantum chemistry methods for electronic structure.
ADF Density Functional Theory (DFT) software package that enables first-principles electronic structure calculations.
BigDFT Implements density functional theory by solving the Kohn-Sham equations describing the electrons in a material.
CASTEP [In development] CASTEP  is a leading code for calculating the properties of materials from first principles.  Using density functional theory,

it can simulate a wide range of properties of materials proprieties including energetics, structure at the atomic level, vibrational properties, electronic response properties etc.

CP2K Program to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems.
GAMESS-UK The general purpose ab initio molecular electronic structure program for performing SCF-, DFT- and MCSCF-gradient calculations.
GAMESS-US Computational chemistry suite used to simulate atomic and molecular electronic structure.
Gaussian [In development] Predicts energies, molecular structures, and vibrational frequencies of molecular systems.
GPAW Real-space grid DFT code written in C and


gWL-LSMS Materials  code for investigating the effects of temperature on magnetism.
LATTE Density matrix computations
LSDalton Linear-scaling HF and DFT code suitable for large molecular systems,  now also with some CCSD capabilities
MOLCAS Methods for calculating general electronic structures in molecular systems in both ground and excited states.
MOPAC2012 Semiempirical Quantum Chemistry
NWChem Calculations
Octopus Used for ab initio virtual experimentation and quantum chemistry calculations.
ONETEP [In development] ONETEP  (Order-N Electronic Total Energy Package) is a linear-scaling code for quantum-mechanical calculations based on density-functional theory.
PEtot First principles materials code that computes the behavior of the electron structures of materials.
PWMat The fastest plane wave pseudopotential code for density functional theory simulations based on GPU.
Q-CHEM Computational chemistry package designed for HPC clusters.
QMCPACK Solves the many-body Schrodinger equation for electronic structures using a quantum Monte Carlo method.
Quantum Espresso/ PWscf An integrated suite of computer codes for electronic structure calculations and materials modeling at the nanoscale.
QUICK QUICK is a GPU-enabled ab intio quantum chemistry software package.
TeraChem Quantum chemistry software designed to run on NVIDIA GPU.
VASP Complex package for performing ab-initio quantum-mechanical molecular dynamics (MD) simulations using pseudopotentials or the projector-augmented wave method and a plane wave basis set.



Accelereyes- ArrayFire Comprehensive GPU function library
HiPLAR 3High Performance Linear Algebra in R
Mathematica Wolfram A symbolic technical computing language and development environment.
Mathworks – MATLAB GPU acceleration for MATLAB (high-level technical computing language).
NMath Premium GPU-accelerated  math and statistics for

.NET, automatically detects the presence

of a CUDA-enabled GPU at runtime

and seamlessly redirects appropriate

computations to it.



AWP The Anelastic Wave Propagation, AWP- ODC, independently simulates  the dynamic rupture and wave propagation that occurs during an earthquake. Dynamic rupture produces friction, traction, slip, and slip rate information on the fault. The moment function is constructed from this fault data and used to initialize wave propagation.
BQCD Lattice quantum chromodynamics application, used for nuclear ad high energy physics calculations.
CASTRO A multicomponent compressible hydrodynamic code for astrophysical flows including self-gravity, nuclear reactions and radiation. CASTRO uses an Eulerian  grid

and incorporates adaptive mesh refinement (AMR). The approach uses a nested hierarchy of logically-rectangular grids with simultaneous refinement in both space and time.

Changa Astrophysics code performs collisionless N-body simulations.  It can perform cosmological simulations with periodic boundary conditions in comoving coordinates or simulations of isolated stellar systems.
Chemora Chemora is a system for performing simulations of systems described

by differential equations running on accelerated computational clusters.

Chroma Lattice Quantum Chromodynamics  (LQCD)
CPS Lattice quantum chromodynamics application, used for nuclear ad high energy physics calculations.
ENZO 3D block-structured  AMR code for cosmological structure formation.
GTC Simulates microturbulence and transport in magnetically confined fusion plasma.
GTC-P A development code for optimization of plasma physics. Full science and data sets are included, but in a simplified form to allow performance testing and tuning.
GTS Simulates microturbulence and the motion of charged particles and interactions in fusion plasma.
HACC Simulates N-Body Astrophysics
MAESTRO A low Mach number stellar hydrodynamics code that can be used to simulate long- time, low-speed flows that would be prohibitively expensive to model using traditional compressible code.
MILC Lattice Quantum Chromodynamics  (LQCD)

codes simulate how elemental particles

are formed and bound by the “strong force”

to create larger  particles like protons and


OSIRIS Simulates Plasma  Physics  including Laser interaction
PIConGPU A relativistic Particle-in-Cell code that describes the dynamics of a plasma by computing the motion of electrons and ions subject to the Maxwell-Vlasov  equation.
PPM Piecewise parabolic method, a higher-

order extension of Godunov’s method which

uses spatial interpolation and allows for a

steeper representation of discontinuities,

particularly contact discontinuities.

QUDA Library  for Lattice QCD calculations using


RAMSES Simulates astrophysical problems on different scales (e.g. star formation, galaxy dynamics, cosmological structure formation).
XGC Simulates edge effects for MHD plasma physics



3D Slicer Medical visualization & segmentation
CEI EnSight Visualization and analysis  application for


FluoRender (SCI, U of


Interactive rendering tool for confocal microscopy data visualization.
GPULib for IDL Data analysis  application


Interactive volume rendering application
ImageVis3D (SCI, U of


Simple, scalable, and interactive volume rendering application.


Visualization application for CFD
MathWorks – MATLAB Data analysis  and visualization application
ParaView Scalable data analysis  and visualization application
Seg3D (SCI, U of Utah) Segmentation application for medical data
Visulalization Toolkit


Data analysis  and visualization toolkit
VisIt Scalable data analysis  and visualization application
vl3 (Argonne National


Large dataset visualization in cosmology, astrophysics, and biosciences fields.
VMD (U of Illionis, Urbana-Champaign) Visualization and analysis of large bio- molecular systems in 3-D graphics.

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