43 citations · 163 across the 11 of their papers we have counts for
Showing 2022Show all
2 papers · 1 filter
physics.chem-ph2022
ipie: A Python-based Auxiliary-Field Quantum Monte Carlo Program with Flexibility and Efficiency on CPUs and GPUs
Fionn D. Malone, Ankit Mahajan, James S. Spencer +1
We report the development of a python-based auxiliary-field quantum Monte Carlo (AFQMC) program, ipie, with preliminary timing benchmarks and new AFQMC results on the isomerization…
physics.chem-ph2022★ 1 cited
Selected configuration interaction wave functions in phaseless auxiliary field quantum Monte Carlo
Ankit Mahajan, Joonho Lee, Sandeep Sharma
We present efficient algorithms for using selected configuration interaction (sCI) trial wave functions in phaseless auxiliary field quantum Monte Carlo (ph-AFQMC). These advanceme…