University unveils plans to establish UK's flagship AI-driven materials discovery centre

The CERC Program offers eligible Canadian degree-granting universities the opportunity to establish research Chairs at their institutions in research areas that are of strategic importance to Canada.

YouTube video by Prof von Lilienfeld

The Technical University of Denmark (DTU) offers the opportunity to build a research group in advanced and applied chemistry at an internationally esteemed department with an excellent infrastructure.

YouTube video by Prof von Lilienfeld

Algorithmic reaction explorations based on transition state searches can now routinely predict relatively short reaction sequences involving small molecules. However, applying these algorithms to deep...

YouTube video by Talking Cancer With Professor Thomas Seyfried

YouTube video by Prof von Lilienfeld

We introduce the alchemical harmonic approximation (AHA) of the absolute electronic energy for charge-neutral iso-electronic diatomics at fixed interatomic dist

YouTube video by Prof von Lilienfeld

We are far more likely to use our hands to type or swipe than pick up a pen. But in the process we are in danger of losing cognitive skills, sensory experience – and a connection to history

Sustainability and artificial intelligence dominate our seventh annual round-up of exciting innovations.

Tiny specks called biomolecular condensates are leading to a new understanding of the cell

CHM328 lectures given at UofT in winter 2025

Quantum machine learning (QML) Core Fortran Functions - qmlcode/qmllib

We present a procedure for enhanced sampling of molecular dynamics simulations through informed stochastic resetting. Many phenomena, such as protein folding and crystal nucleation, occur over time sc...

Click the link provided to see the complete job description.

Assistant Professor - AI Materials Discovery

Nonheme iron enzymes utilize S = 2 iron(IV)-oxo intermediates as oxidants in biological oxygenations. In contrast, corresponding synthetic nonheme FeIV═O complexes characterized to date favor the S = ...

Quantum computing offers a promising approach to solving electronic-structure problems, but a quantitative description of chemical systems while minimizing computing resources is an essential challeng...