Fighting Drug Trafficking With Quantum Chemistry

The NPS VeriQon* collaboration project unites government institutions and companies in a joint effort to advance methods for the rapid and dependable identification of psychoactive substances.

Blog

People at Quantistry
09/06/2022

"Our intention is to become a role model in the field of computational chemistry"

Amadeus Barth is responsible for the business development and ensures that Quantistry can develop its full potential. Whether it's sales, marketing, PR or CRM: he keeps an eye on everything. In this interview, he tells us what are the most important strengths of Quantistry, where the company wants to go in the upcoming months and years and how he spends his free time when he's not busy with the computational chemistry market.
Platform
25/05/2022

Simulation Feature: Reaction Path Module

Our goal is to provide R&D with valuable tools so that they can leave well-trodden paths and break new ground. With our simulation platform Quantistry Lab, we have taken the first step in this direction. To enable new ideas to grow in the digital lab, we have implemented helpful features that tease out the greatest possible potential from the simulations.
Trend
11/04/2022

How Materials Development Benefits from Cloud-Based Simulations

Concerns about insufficient data security are the main reason why on-premise software is still dominant in the simulation sector today, despite considerable drawbacks. Cloud-based solutions, on the other hand, are still viewed critically, although the main arguments against this technology can now be easily refuted.
People at Quantistry
16/03/2022

Working as a Computational Chemist at Quantistry

Stefan Mattsson holds a PhD in chemistry and has focused on computational chemistry as part of his education. He is one of several experts at Quantistry who is responsible for the reliable functioning of our simulations and the scientific validity of our results. Learn more about him and his job.
Technology
08/03/2022

The Use of Artificial Intelligence and Machine Learning in Chemical Simulations

Machine learning can be used to solve problems - especially in the area of structure-activity relationships - that would be impossible or would require immense effort to solve using standard methods due to their level of complexity. At Quantistry, we therefore use this technology to make our analyses even faster and more reliable.
Technology
10/02/2022

Computer-Based Reaction Prediction

For solving the vast majority of chemical problems in the industry it is indispensable to combine various simulation methods. In our platform, this is realized by the combination of different tasks in a workflow-logic. A prominent example is theoretical prediction and analysis of chemical reactions, where not only quantum chemical methods but also machine learning (ML) are used.
Technology
20/01/2022

Quantum Chemistry at the Very Center of the Quantistry Lab

The theoretical basis of the Quantistry Lab is quantum chemistry. With its hierarchy of diverse methods, essential physical and chemical properties of molecules and materials can be reliably predicted and complex problems can be solved.

Fighting Drug Trafficking With Quantum Chemistry

Blog

"Our intention is to become a role model in the field of computational chemistry"

Simulation Feature: Reaction Path Module

How Materials Development Benefits from Cloud-Based Simulations

Working as a Computational Chemist at Quantistry

The Use of Artificial Intelligence and Machine Learning in Chemical Simulations

Computer-Based Reaction Prediction

Quantum Chemistry at the Very Center of the Quantistry Lab