Modeling and
Digitalization in
Pharmaceutical
Development

Using advanced modeling and digitalization to accelerate pharmaceutical product and process development

At RCPE, we pioneer next-level modeling and simulation tools that support pharmaceutical product and process development. Working with many companies around the globe, we have demonstrated that modeling and digitalization are indispensable in today’s world to speed up and de‑risk development programs for advanced therapeutics. Our advanced tools, including Discrete Element Method (DEM), Computational Fluid Dynamics (CFD), molecular dynamics (MD) and machine learning/AI, help to mitigate risk during the development of new medicines and make production easier, more robust and sustainable.

What we Do

Advancing Modeling Tools

Develop next generation modeling tools based on the latest science

High-Performance Computing

Leverage modern high performance computing architectures for faster and more efficient simulations

Workflow-Integrated Design Models

Make use of fast design models that support day-to-day work of pharmaceutical scientists by deep integration into their workflows

AI & Reduced-Order Modeling

Use reduced-order models, AI and machine learning to extract relevant knowledge from mechanistic models for creating smart, self-driving processes

Areas of Application

Our capabilities cover the key technologies and analytical approaches that enable next-generation pharmaceutical manufacturing – from continuous processing and advanced analytics to additive manufacturing and particle engineering.

Solid dosage-form manufacturing

This includes our digital suite for particulate process modeling and control (XPS – eXtended Particle Simulations for Pharmaceutical Manufacturing) and other advanced methods, such as Smoothed Particle Hydrodynamics (SPH), CFD and molecular modeling to optimize formulations and delivery systems, ranging from tablets, capsules to inhaled dosage forms.

Bioprocess modeling

By using a combination of advanced methods that model fluid dynamics, mass- and heat transport, kinetics, molecular phenomena and (bio)chemical thermodynamics, we develop premier simulation tools for upstream (USP) and downstream (DSP) processes, including bioreactors, filtration, lyophilization, spray drying and chromatography.

API synthesis

Reaction engineering models, including kinetics and transport phenomena, form the basis for optimizing process yield and selectivity and allow the integration of multiple steps into an end‑to‑end production process.

Nano-processing

By combining fluid dynamics, mixing, and particle‑formation models, we aim to optimize and control the manufacturing of nanostructured drug delivery systems.

Science of Quality & Quality by Design (QdB)

We use predictive modelling to understand how critical material attributes (CMAs) and process parameters (CPPs) influence relevant quality attributes (CQAs), supporting science-based development and regulatory QbD-based submissions.

Batch variability management

We quantify which ranges of raw material and process variability can be tolerated while still meeting predefined quality criteria and release specifications. This helps create robust products and supports risk assessment and control strategies in pharmaceutical manufacturing.

Clean and Sterilize in Place (CIP, SIP)

Why Choose RCPE’s Modeling and Simulation Expertise

Focused expertise in pharmaceutical simulation

We are recognized experts in this domain, trusted by the U.S. Food and Drug Administration (FDA) and many leading pharma companies. High level multidisciplinary know-how is required to model real processes with validated results, not just generation of attractive images.

Comprehensive scientific insight

Our teams combine process and formulation science, material science, advanced analytics and data science, providing fast, robust and innovative solutions for development and manufacturing questions.

Support for formulation strategies & equipment decisions

We assist in selecting suitable formulation strategies and process equipment, drawing on hands-on experience with pharmaceutical equipment from nearly all major manufacturers.

Shorter time to market and reduced CDMO development time

Predictive insights and virtual experiments help shorten development and CDMO selection timelines and reduce costly trial and error when setting up production processes.

In-house model validation

Being part of ASME’s Verification, Validation and Uncertainty Quantification (VVUQ) activities, in many cases our models can be validated using data from RCPE’s laboratories and pilot plant, ensuring seamless translation from digital models to real-world processes.

Sustainability

RCPE has a strong focus on using our digital tools for maximizing sustainability of the manufacturing process, e.g., reducing the use of harmful solvents, by optimizing the selectivity of processes or by using green processing routes (such as electrochemistry).

Digitalization and digital twins

We support rapid development of digital twins that can be embedded in the digital workflow of companies, reducing costs, environmental footprint and development times.

Ready to discuss modeling, prediction, and digitalization?

Send us your most challenging questions and ideas. With RCPE’s expertise in simulation, predictive modeling, and digitalization, you can better understand your pharmaceutical processes and unlock new levers for efficiency, robustness, sustainability, and product quality.

Contact

Dr. Benedict Benque

Area Leader – Science of Quality

Dr. Josip Matić