84 citations · 143 across the 4 of their papers we have counts for
5 papers
Scaling Density Functional Theory with Gaussian Splatting
Andrés Guzmán-Cordero, Cindy Zhang, Majdi Hassan +3
Density functional theory (DFT) strikes a practical balance between accuracy and computational cost in many problems of computational chemistry and materials science. However, many…
Neural network distillation of orbital dependent density functional theory
Matija Medvidović, Jaylyn C. Umana, Iman Ahmadabadi +3
Density functional theory (DFT) offers a desirable balance between quantitative accuracy and computational efficiency in practical many-electron calculations. Its central component…
Neural-network quantum states for many-body physics
Matija Medvidović, Javier Robledo Moreno
Variational quantum calculations have borrowed many tools and algorithms from the machine learning community in the recent years. Leveraging great expressive power and efficient gr…
Grad DFT: a software library for machine learning enhanced density functional theory
Pablo A. M. Casares, Jack S. Baker, Matija Medvidovic +2
Density functional theory (DFT) stands as a cornerstone method in computational quantum chemistry and materials science due to its remarkable versatility and scalability. Yet, it s…
Classical variational simulation of the Quantum Approximate Optimization Algorithm
Matija Medvidovic, Giuseppe Carleo
A key open question in quantum computing is whether quantum algorithms can potentially offer a significant advantage over classical algorithms for tasks of practical interest. Unde…