Computational chemistry and molecular modeling form the backbone of modern theoretical and applied chemical science. These fields utilise advanced quantum mechanical methods and simulation techniques ...

讲座题目：Pre-trained Surrogate Models in A Multiscale Computational Homogenization Framework 个人简介： ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

This study presents SynaptoGen, a differentiable extension of connectome models that links gene expression, protein-protein interaction probabilities, synaptic multiplicity, and synaptic weights, and ...

Computational models and simulations have had an important role in engineering analysis since as far back as the 1960s. It is widely recognized that the use of modeling and simulation tools can make ...

Theory and understanding underpin a great deal of experimentation and engineering. Working together experimentalists can be guided by theoretical predictions and theoreticians can refine their models ...

A new computational model of the brain based closely on its biology and physiology has not only learned a simple visual ...

Responding to an impending hazard means that time is limited, so analysis and decision-making must proceed on an accelerated timetable. Modeling, numerical simulation, leading to predictive capacity, ...

Physical gel models and numerical simulations have been created to study ferret brain gyrification and cortical malformations, while comparisons with human phenotypes aim to link genetics and brain ...

Encapsulated microbubbles (EMBs), tiny gas-filled bubbles coated in lipid or protein shells, play a central role in ...

Researchers have developed a computational model that identifies the best combination of location and energy technologies to ...