2 papers
physics.chem-ph2026
ConSolv: Solvent-Conditional Machine Learning Implicit Solvent Potential
Linying Zhang, Julija Zavadlav
Implicit solvent machine learning potentials (MLPs) offer a powerful route to bridging the gap between accuracy and efficiency in molecular simulations. However, existing models ha…
math.NA2024
Shape-informed surrogate models based on signed distance function domain encoding
Linying Zhang, Stefano Pagani, Jun Zhang +1
We propose a non-intrusive method to build surrogate models that approximate the solution of parameterized partial differential equations (PDEs), capable of taking into account the…