Molecular Modeling Software

Buijs Advice & Consultancy is the Dutch Sales Partner For Wavefunction (

Software Products for Industry and Academia

Spartan’16 offers a full range of Molecular Mechanics and Quantum Chemical methods including extensive modern Density Functional, Moller Plesset, Advanced Correlated approaches and Thermochemistry recipes.
Spartan’16 Parallel Suite provides all the features of Spartan’16, but adds: multi-core parallel processing for ab-initio, density functional, RI-MPT, and T1 calculations, the full SMD and SSPD data collections, and the ability to act as a compute server for other Spartan’16 licenses or the iSpartan molecular modeling app. The Spartan’16 Parallel Suite is the dominant version used in academic, government, and commercial research

Software Products for Education

Apart from molecular modelling software for academic and industrial research applications, Wavefunction offers also a range of educational software.
Spartan Student Edition is a serious molecular modeling package which can be used from high school to bachelor phase in academic education in Chemistry, and Chemical Engineering
ODYSSEY® is a unique teaching program for introductory and general chemistry classes in middle schools, high schools, colleges, and universities. Utilizing scientifically-based molecular dynamics simulations, ODYSSEY provides an interactive environment for learning and exploration.

Buijs Advice & Consultancy BV

Buijs Advice & Consultancy BV

Buijs Advice & Consultancy BV is a fully independent company based on >25 years of experience in Chemical Industry and Academia.

Chemical Industry Competences:

  1. Lead finding & optimization Research
  2. Conceptual Process Development
  3. Pilot planting
  4. Optimizing Existing Processes
  5. Solving Product Quality Issues
  6. Process Economics
  7. Strategic Advice on Process and Product Introduction to the Market

Molecular Modeling

Molecular Simulations have become a key-competence in many of the above mentioned areas. Molecular Modeling strongly reduces Research & Development  time and cost up to 80%, by:

  • Fast screening of all initial options,
  • Selecting and optimizing the most promising leads,
  • Limiting costly experimental work
  • Delivering quantitative engineering data for all unit operations.

Customer Needs

Different formats are available to serve customers.

  • Consultancy
  • Contract Research
  • Professional Training on the use of Molecular Modeling
  • Advice on appropriate Software and Hardware


1. Workshop Molecular Modeling Woudschoten Chemie Conferentie 2015 ( (Workshop Molecular modeling Woudschoten 2015 WB.pdf)
2. Launch of Spartan ’16 on May 25, 2016 ! Click here for the new Spartan16Brochure


For information on consultancy and contract research options for your business, and the application of molecular modeling in a business or educational environment, contact:


Process Development and Optimisation

1. Removal of Mg-impurity from hydrated Ni-sulfates (ChemEngSci_2015.pdf)
2. Isosorbide a renewable feedstock (Catal-Sci-Technol-2014-4-152-163.pdf)
3. CO2 dyeing gets commercial roll-out (DyeCoo-story.pdf, Application-of-Molecular-Modeling-in-the-Optimization-of-Reactive-Cotton-Dyeing.pdf)
4. Simultaneous preparation of Nylon-6 polymers with two different viscosities, and fast depolymerisation of Nylon-6 to caprolactam (EP 00201422.3)


5. School Chemistry Vs. Chemistry in Research: An Exploratory Experiment (Journal of Science Education and Technology Vol. 10 No. 3 2001.pdf)
6. Visualization and interactivity in the teaching of chemistry to science and non-science students (Chem. Educ. Res. Pract., 2009, 10, 62–69)
7. Using Molecular Dynamics Simulation To Reinforce Student Understanding of Intermolecular Forces (Odyssey_Article)