MolKet offers consulting and AI services for modeling solutions for quantum molecular dynamics and cryptography with cloud-based software on hybrid HPC and quantum computing platforms.

import molket_engine as me import molket_visual as mv import molket_data as md # define the molecular structure # insert H2 molecule molecule = me.Molecule('H_2') # define the geometry of the molecule: example H2 molecule.geometry = [('H', (0, 0, 0)), ('H', (0, 0, 0.74))] # you can also define a grid of points to sample the wavefunction r = [0.5,0.6, 0.7, 0.8, 0.9, 1.0, 1.1, 1.2,1.3,1.4,1.5,1.6, 1.7,1.8,1.9,2] # in Angstrom molecule.geometry = [('H', (0, 0, -r/2)), ('H', (0, 0, r/2))] # create the Hamiltonian operator with the molecule and data structure H_op = me.Operator('H_2') H_op.molecule = molecule # define the electronic basis set H_op.elec_basis = 'sto-3g' # define the nuclear motion basis set, the vibrational basis set H_op.nuc_basis = ('harmonic','Gaussian') # define the rotational basis set (wavefunctions), ... # Default: spherical harmonics for linear molecules, and Wigner D-matrices for non-linear molecules. H_op.rot_basis = ('Ylm') # you can also define phase or choose real harmonics depending on the symmetry of the molecule
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Our Complementary Services

Alongside the cloud services, we can help you in the following

Designing algorithms for quantum molecular dynamics

Adapt your application using HPC/QC

Training, consultancy, and knowledge transfer

We provide fast and accurate molecular design simulations assisted by AI, performed and automated by hybrid quantum computing + HPC

Chemistry simulations are time consuming and complicated to prepare. Our goal is to make the design process easier and fast. We use AI to train general Hamiltonians for chemistry simulations that can be executed efficiently on HPC, quantum, computers, and on simulations of quantum computers.


We provide highly engineered, standard process for quantum chemistry simulations over MolKet Studio

How Does It Work?

Our Development Model

We can help you by providing what you need from built-in libraries that help you in your execution.


Molket Founders

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Taha Selim

Co-founder & Chief Executive Officer
Lead Tech Team
Theoretical & Computational Chemist
PhD candidate, Theoretical & Computational Chemistry,
IMM, Radboud University Nijmegen, the Netherlands.
M.Sc. of Quantum physics, Lasers, & Materials.
B.Sc. of Physics & Mathematics with Electronics & Communication Engineering.
Non-degree diploma in Business Administration.
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Alain Chancé

Co-founder, Chief Business & Marketing Officer
Lead Consulting Team & Managing Director
Technical manager with 30+ in consultancy of technical solutions in major tech firms
Qiskit Advocate & IBM Certified Associate Developer
Author "Quantum Permutation Pad with Qiskit Runtime",
ICCCAS Conference Proceedings, May 2023.
Co-author of the book “Quantum Chemistry and Computing for the Curious:
Illustrated with Python and Qiskit® code”.
Master’s Degree in Science and Executive Engineering MINES Saint-Etienne, France (1981)

Let’s talk
Love to hear from you!

Our Location

• Startup Village Amsterdam, Amsterdam, the Netherlands

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