28 citations · 46 across the 4 of their papers we have counts for
4 papers
Highly accurate ab-initio thermochemistry via real-space quantum Monte Carlo: Benzene
Iliya Sabzevari, Sandeep Sharma
Real-space quantum Monte Carlo is used to calculate the total atomization energy of benzene. In contrast to orbital-space methods common in quantum chemistry, real-space methods al…
Multireference configuration interaction and perturbation theory without reduced density matrices
Ankit Mahajan, Nick S. Blunt, Iliya Sabzevari +1
The computationally expensive evaluation and storage of high-rank reduced density matrices (RDMs) has been the bottleneck in the calculation of dynamic correlation for multireferen…
An accelerated linear method for optimizing non-linear wavefunctions in variational Monte Carlo
Iliya Sabzevari, Ankit Mahajan, Sandeep Sharma
Although the linear method is one of the most robust algorithms for optimizing non-linearly parametrized wavefunctions in variational Monte Carlo, it suffers from a memory bottlene…
Faster and lower scaling orbital-space Variational Monte Carlo
Iliya Sabzevari, Sandeep Sharma
In this work, we introduce three algorithmic improvements to reduce the cost and improve the scaling of orbital space variational Monte Carlo (VMC). First, we show that by appropri…