Lucas K Wagner

6PUBLICATIONS
45CO-AUTHORS
Computational chemistryStatistical mechanics in chemistryElectronic and magnetic properties of condensed matter; superconductivityFormal methods for softwareIntegrable systems (classical and quantum)
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Publications (6)

|Jul 09, 2021
Frontiers of stochastic electronic structure calculations.

Miguel A Morales-Silva, Kenneth D Jordan, Luke Shulenburger

|Jan 27, 2021
Excited states in variational Monte Carlo using a penalty method.

Shivesh Pathak, Brian Busemeyer, João N B Rodrigues

|Aug 24, 2020
Identifying materials with charge-spin physics using charge-spin susceptibility computed from first principles.

J N B Rodrigues, Lucas K Wagner

|Jul 17, 2020
Recent developments in the PySCF program package.

Qiming Sun, Xing Zhang, Samragni Banerjee

|Dec 24, 2018
Non-orthogonal determinants in multi-Slater-Jastrow trial wave functions for fixed-node diffusion Monte Carlo.

Shivesh Pathak, Lucas K Wagner

|Apr 08, 2017
Accurate barrier heights using diffusion Monte Carlo.

Kittithat Krongchon, Brian Busemeyer, Lucas K Wagner

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