Additionally, scripts for creating solvated nanoparticles and running molecular dynamics (MD) simulations ... An example input script for running a LAMMPS simulation with MACE potential is included in ...

This important study characterizes the mechanics and stability of bolalipids from archaeal membranes using molecular dynamics simulations. A mesoscale model of bolalipids is presented and evaluated ...

A research group has developed SPACIER, an advanced polymer material design tool that integrates machine learning with molecular simulations. As a proof of concept, the group successfully synthesized ...

Striatal dopamine (DA) release regulates reward-related learning and behavioural activation and is believed to consist of a short-lived phasic and continuous tonic component. Here, we build a ...

Water pollution is one of the growing challenges of modern life. Many everyday items, from medications to cosmetics, leave behind residues that don't fully break down after use. These pollutants ...

Quantum spin liquids are fascinating states of matter where magnetic spins stay disordered, defying the usual rules of magnetism. Professor Yasuyuki Ishii and his team have made an exciting discovery ...

The Sims 4's decade-long reign as the king of life sims finally has a worthy contender for the crown. Krafton's upcoming PC game inZOI is no ordinary life sim; as its meta narrative framing puts ...

helping the Eagles secure the victory in over 60% of simulations. See the model's other NFL playoff score predictions at SportsLine. In addition, the model has locked in NFL exact score ...

Centre for Computational Science, University College London, 20 Gordon Street, London WC1H 0AJ, U.K. Centre for Computational Science, University College London, 20 Gordon Street, London WC1H 0AJ, U.K ...

What are the best simulation games on PC ... Every physical object in the game abides by Newtonian dynamics, which is why that rocket you built to look like Gary Busey’s face collapsed and ...