Invitation
EMMC would like to invite you to join the webinar of EMMC Organisational Member Compular on
“Supercharging Liquid Formulation with Multi-Scale Simulations and AI”
February 11, 2026 | 14.00-15.00 CET | online.
Speaker: Rasmus Andersson | CEO, Compular | Sweden
Introduction
Liquid formulations are key to many technological areas including batteries, photovoltaics, semiconductors, pharmaceuticals and personal care products. Yet formulation work is challenging due to the truly vast space of possible formulations, and the complex relationship between chemical composition and physical properties.
In this webinar, Compular will present their multi-scale modelling framework for massively accelerated formulation work by combining several modelling approaches and AI, and spanning from the atomic to the device scale.
By automating the simulation process in their platform Compular Lab, they enable anyone including experimentalists to run these advanced simulations as easily as filling in a lab notebook, while giving detailed insight into the nature of formulations and the causes of their differences.
Density functional theory (DFT) is used to parameterize force fields for molecular dynamics (MD) simulations of bulk liquid as well as near interfaces with possibly charged surfaces. Compular’s patented method for dynamic structure discovery is used to predict detailed speciation (in bulk and adsorbed to the surfaces) and overall liquid properties. These results are in turn used to predict, using DFT and transition state theory (TST), which reactions are likely to occur and their activation energy and energy release. Finally, by integrating all the outputs into PDE-based continuum models, predictions are made for the full cell/reactor/device scale.
As a complement to this simulation stack, Compular has also developed a chemistry-aware AI model for predicting liquid properties at sub second times instead of hours, which can be used for early screening or formulation optimization, and which will be presented for the first time in this webinar.
Registration
Available below if you are logged in as at least an EMMC Associate Member (free).
Meeting link
Will be provided a day before the event.
Available if you are logged in as at least an EMMC Associate Member (free).
