Chemistry + Materials

For materials researchers, computer simulations stand alongside experiment and theory as an everyday tool in their work....

Scientists can spend a long time in heated debates over tiny details – for example, how and whether atoms in a crystal...

Researchers from EPFL have developed a method to identify with simulations promising two-dimensional materials.

Scientists from EPF Lausanne have improved the theoretical description of complex non-linear optical measurements by...

Photosynthesis is one of the most common and fundamental life processes on Earth, and its complex sequence of events has...

Scientists have used ‘Piz Daint’ to simulate crucial steps in the formation of ammonia as a prebiotic molecule. Ammonia...

Supercomputers allow researchers to discover previously unknown materials and to predict their properties based on...

Nicola Marzari, a professor at EPF Lausanne, is convinced that computational materials science is on the verge of a...

Initial simulations on the supercomputer “Piz Daint” have validated a method that aims to solve the key problems in...

Researchers from ETH Zurich have developed an algorithm that simulates high-temperature superconductivity much faster....

Scientists have replaced the telescope by the microscope: Using the similarities between the structure of a crystal and...

This year’s Max Rössler Prize goes to Nicola Spaldin, a professor of materials theory in the Department of Materials at...

Finding and accessing alternative energy sources is the goal of many scientists worldwide. Simulations on...

Scientists have used a new method to precisely simulate the phase transition from graphite to diamond for the first...

25 years ago two budding scientists, Roberto Car and Michele Parrinello, used their expert knowledge, coupled with...