2 citations · 7 across the 4 of their papers we have counts for
5 papers
Cation Dominated but Negatively Charged Na2SO4,aq-Graphene Interfaces
Ademola Soyemi, Tibor Szilvasi
The distribution of ions and their impact on the structure of electrolyte interfaces plays an important role in many applications. Interestingly, recent experimental studies have s…
Modeling the Behavior of Complex Aqueous Electrolytes Using Machine Learning Interatomic Potentials: The Case of Sodium Sulfate
Ademola Soyemi, Tibor Szilvasi
Understanding the structure and thermodynamics of solvated ions is essential for advancing applications in electrochemistry, water treatment, and energy storage. While ab initio mo…
A Simple Iterative Approach for Constant Chemical Potential Simulations at Interfaces
Ademola Soyemi, Khagendra Baral, Tibor Szilvasi
Chemical potential of species in solution is essential for understanding various chemical processes at interfaces. Molecular dynamics (MD) simulations, constrained by fixed composi…
Transferable Water Potentials Using Equivariant Neural Networks
Tristan Maxson, Tibor Szilvasi
Machine learning interatomic potentials (MLIPs) are an emerging modeling technique that promises to provide electronic structure theory accuracy for a fraction of its cost, however…
Enhancing the Quality and Reliability of Machine Learning Interatomic Potentials through Better Reporting Practices
Tristan Maxson, Ademola Soyemi, Benjamin W. J. Chen +1
Recent developments in machine learning interatomic potentials (MLIPs) have empowered even non-experts in machine learning to train MLIPs for accelerating materials simulations. Ho…