We introduce a new computational approach for predicting organic crystalline structures on flat surfaces, an essential step in designing and optimizing thin-film systems for electronic devices. Based ...

The field of protein structure prediction is undergoing a paradigm shift, with protein language models based on direct sequence prediction offering advantages in both computational efficiency and ...

Preparation of biobased furan polyamides with good comprehensive properties remains a big challenge due to the instability of biobased furan monomers and the inactivation of reactive end groups. To ...

PyQuake3D A Python tool for 3-D earthquake sequence simulations of seismic and aseismic slip PyQuake3D is a high-performance Python-based Boundary Element Method (BEM) code for simulating sequences of ...