A novel parallel computing framework for chemical process simulation has been proposed by researchers from the East China University of Science and Technology and the University of Sheffield. This ...
Computer simulations in chemistry are a powerful way of understanding and optimizing chemical processes. But as the size of the system under consideration grows, so does the computational complexity ...
In inertial confinement fusion, a capsule of fuel begins at temperatures near zero and pressures close to vacuum. When lasers compress that fuel to trigger fusion, the material heats up to millions of ...
New theoretical physics research introduces a simulation method of machine-learning-based effective Hamiltonian for ...
A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...
The IMEX schemes apply the implicit temporal method to only a small portion of the domain and use explicit calculations elsewhere, based on a convenient splitting algorithm. IMEX methods effectively ...
Nuclear materials, advanced reactors, materials chemistry, atomistic simulation, multi-scale modeling, machine learning, energy storage and conversion. My research group focuses on combining ...
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