Otaniemi Center for Atomic-scale Materials Modeling (OCAMM), hosted by the Department of Chemistry and Materials Science (CMAT). The positions to be filled are part of a new project funded by Business ...

According to Gavin Coulson, managing director of Metadynamics, the innovative product sets a new benchmark for smoothness and consistency. It is also a high purity product, containing 95% synthetic ...

Molecular dynamics (MD) is a crucial tool in computational chemistry for simulating the time evolution of molecular systems across different levels of accuracy, from quantum simulations to atomistic ...

Scientists have discovered that a known practice in information technology can also be applied to chemistry. Researchers found that to enhance the sampling in chemical simulations, all you need to do ...

A new study from Tel Aviv University has discovered that a known practice in information technology can also be applied to chemistry. Researchers found that to enhance the sampling in chemical ...

Metadynamics is a powerful method to accelerate molecular dynamics simulations, but its efficiency critically depends on the identification of collective variables that capture the slow modes of the ...

Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to ...

John Crocker had expected to see a flat line—a familiar horizontal track with some slight peaks and valleys—but the plot of energy in front of him dove sharply downward. "It's a once-in-a-lifetime ...