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Are you a researcher or Ph.D student in scientific computing applications, and looking for new ways to commercialize your ideas by launching for example a new innovative start-up company? Alternatively, are you simply looking for employment opportunities in existing computational science start-up companies, in order to discover alternative career paths compared to purely academic research, which would still value your Ph.D knowledge and research experience? In that case, feel free to contact me at the following e-mail address, in order to organize some video-calls together for example, and to see if I can be of any help:

I would in fact be more than happy to provide you with valuable advices and insights on how to approach this world of scientific start-ups, based on my own personal business experience as a freelance consultant for companies such as Mat3ra, and more recently Goldbeck Consulting Ltd who is involved in the European Materials Modelling Council as well as some related H2020 EU projects, such as VIMMP, Marketplace and OpenModel. I am also currently collaborating with another similar South Korean start-up company called Virtual Lab Inc, as well as with the NOMAD Center of Excellence dedicated to bringing many of the materials modelling techniques towards the exascale.

For sources of inspiration with regard to new start-up ideas, please have a look at the following examples of private companies active in scientific computing product development displayed throughout the remainder of this webpage. The list below could also prove resourceful for young researchers in academia, looking for new long-term employment opportunities or short-term remote freelance projects of a different and commercial nature. In this case, I advise you to consult regularly the "Careers" sections in each one of the company links provided below. I also recommend consulting the job listings on both the Psi-k and websites, although the positions advertised there are for the most part of academic nature.

Please note that the below list of companies only covers start-ups and SMEs active in scientific computing. Of course, there are also numerous large multi-national corporations in the petroleum, chemicals, pharmaceuticals, engineering and materials industrial sectors that are heavily involved in modeling and simulation-based R&D. Some examples include of course Shell, Pfizer, BASF, Solvay, Bosch, Dow Chemicals, St Gobain, Siemens, etc... The listing of all such large corporations falls however well beyond the scope of the present webpage.

SYNOPSYS QuantumATK - atomistic simulation software

SCM - software for chemistry and materials modeling

MATERIALS DESIGN - atomistic simulation software and services for materials

SIMUNE - atomistic simulation software and services

SCHRODINGER - drug discovery and materials design

MAT3RA - cloud-native digital materials R&D platform

THERMOCALC - computational tools for engineers and materials data

CULGI - multi-scaled computational chemistry software

DASSAULT SYSTEMES - computer aided engineering modeling applications

Q-CHEM - ab initio quantum chemistry program

MATCALC ENGINEERING - metallurgical processing software solutions

TURBOMOLE - program package for electronic structure calculations

AVANT-GARDE MATERIALS SIMULATIONS - software for crystal structure prediction

CRYSTALMAKER - software for research & teaching in materials science

COMSOL - finite element analysis and multiphysics simulation software

MATHWORKS - developer of the MATLAB data and numerical analysis software

ANSYS - engineering simulation and 3D design software

AUTODESK - 3D design, engineering & construction software

WAVEFUNCTION - molecular modeling software

QUANTEMOL - scientific software and consultancy in plasma chemistry modeling

CHEMICAL COMPUTING GROUP - computer aided molecular design

SIMULATIONS PLUS - model-based drug development

PARALLEL QUANTUM SOLUTIONS - computers with integrated software for computational chemistry

SCIENOMICS - materials simulation technology and services

WOLFRAM - data and numerical analysis software (e.g. Mathematica)

GAUSSIAN - computational chemistry software

MCL - processing engineering and innovative material applications

AQCOMPUTARE - provider of scientific computing services for industrial research

QM SIMULATIONS - hardware-software integrated solutions for ab initio material simulations

PETACHEM - quantum chemistry solutions for molecular materials and biological molecules

CRESSET - computational solutions for drug discovery

JPR TECHNOLOGIES - scientific enterprise software solutions

DOTMATICS - unified scientific informatics software solutions

NQUIX - chemical informatics, computational chemistry and molecular modelling

VLIFE TECHNOLOGIES - computer aided drug design, molecular design and molecular modeling

INSILICOGEN - AI driven bioinformatics

INTE:LIGAND - molecular design and drugs discovery software

D.E. SHAW RESEARCH - scientific research and development in computational biochemistry

ENTHOUGHT - scientific and analytic computing solutions

GRANTA DESIGN - materials information software

MICRESS - microstructure evolution simulation software

CITRINE INFORMATICS - materials and chemicals informatics

QUESTEK - integrated computational materials engineering solutions

ATOMWISE - artificial intelligence for drug discovery

VIRTUAL LAB - cloud-based materials simulation platform

ONEANGSTROM - integrated platform for molecular design

CHEMALIVE - quantum chemistry simulation platform

NANOMATCH - virtual design of organic electronic materials

TOTALSIM - computational fluid dynamics consultancy and development

SIMSCALE - cloud-based platform for computer aided engineering simulations

VASP - software for atomistic and electronic structure calculations

IKTOS - artificial intelligence for new drug design

ALPHASTAR - computer-aided engineering solutions

BEASY - engineering software and services

MATGENIX - contract research and software/database solutions

DANTE - heat treatment simulation software

DCS Computing - discrete element method software

ESRD - computer-aided engineering software

ELECTRIC ANT LAB - simulation and software for CFD and chemical applications

ESPEEM - solutions for analysing experimental materials data

MATERIAL-X - molecular modelling as a service

FACCTS - fast & accurate computational chemistry tools

MATMERIZE - accelerated materials design through machine learning

MATELLIGENCE - accelerated materials design through machine learning


MATFEM - consulting in materials science and finite element simulations

MATH2MARKET - multi-scale materials modeling software

MOLSIS - molecular simulations and informatics systems
RESCALE - cloud simulation platform
MOLECULAR FORECASTER - computational chemistry software
SIMULATION WORK - marketplace for simulation projects and trainings
OPEN EYE - cheminformatics software
NEXTMOL - computational chemistry solutions
MATERIALS ZONE - platform for organizing materials data
QWED - electromagnetic modeling and research
RDMChem - quantum chemistry solutions
SEMICHEM - quantum chemistry solutions
SENTE SOFTWARE - software for materials properties
CRYSTALSFIRST - drugs design platform
BIOSOLVEIT - drugs discovery software
CHEMAXON - software solutions and services for chemistry & biology
OPTIBRIUM - software solutions for drugs discovery
GOLDBECK CONSULTING - consulting services for materials modeling industrial applications
ARCTORIS - data-driven drugs discovery
EXSCIENTIA - AI-driven drugs discovery
BENEVOLENT-AI - AI-driven drugs discovery
QUANTISTRY - cloud-based chemical simulations
SUESSCO SIMULATIONS - software for micromagnetic simulations
COGENDA - software products and technical services in semiconductor simulation
GLOBAL TCAD SOLUTIONS - technology computer-aided design solutions
CROSSLIGHT - technology computer-aided design solutions
THIRD WAVE SYSTEMS - computer-aided engineering solutions
TIBERLAB - integrated software for multiscale design, analysis and optimization
VEXTEC - software for integrated computational materials engineering
X-ABILITY - simulation software development
TRANSVALOR - simulation software for materials forming processes
ALTAIR - computer-aided engineering solutions
AUTOFORM - software solutions for sheet metal forming
ESI GROUP - virtual prototyping software
HEXAGON - computer-aided engineering software
SILVACO - computer-aided engineering software
MOLECULAR QUANTUM SOLUTIONS - cloud computing solutions for molecular modeling
MOLSOFT - software tools and services for drugs discovery
CAMBRIDGE QUANTUM COMPUTING - quantum computing solutions and software
ZYMVOL BIOMODELING - enzyme discovery and design services
SENTIENT SCIENCE - mechanical engineering simulations
ESTECO - digital engineering solutions
COMPUTATIONAL MODELLING CAMBRIDGE - scientific and engineering software
DEEPCURE - AI-driven drugs discovery
KEBOTIX - materials design and discovery
CHEMSPACE - online catalogue of small molecules
INTELLEGENS - machine learning solutions for materials, chemicals and manufacturing
QUANTUMZYME - computational design of enzymes
AI MATERIA - AI-driven platform for materials and product development
PHASESHIFT TECHNOLOGIES - machine learning and computational chemistry for alloy design
ENTOS - AI-driven chemistry for medicine
X-CHEM - AI-driven drugs discovery
QCWARE - enterprise software and services for quantum computing

SYGNATURE DISCOVERY - drug discovery contract research services
INSILICO MEDICINE - AI-driven drugs discovery
NANOLAYERS - consulting for theoretical materials discovery
GTT TECHNOLOGIES - thermodynamic simulation software and database
M3E - mathematical methods and models for engineering simulations
COMPUTHERM - integrated modelling platform for materials design
SGTE - thermodynamic databases for inorganic and metallurgical systems
DEEPMATERIALS - AI and quantum computation-based software tools and consulting
MOLYDYN - molecular modelling for materials discovery
HQS - material development at the quantum level
ALVASCIENCE - software solutions for cheminformatics and QSAR research
QSIMULATE - quantum mechanical simulation platform
VERACHEM - software for computer-aided drugs discovery and molecular design
MACHINE DISCOVERY - simulation workflow acceleration platform


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