| Excited states with selected configuration interaction-quantum Monte Carlo: Chemically accurate excitation energies and geometries M Dash, J Feldt, S Moroni, A Scemama, C Filippi Journal of chemical theory and computation 15 (9), 4896-4906, 2019 | 55 | 2019 |
| Atomdroid: a computational chemistry tool for mobile platforms J Feldt, RA Mata, JM Dieterich Journal of chemical information and modeling 52 (4), 1072-1078, 2012 | 23 | 2012 |
| Excited-state calculations with quantum Monte Carlo J Feldt, C Filippi Quantum Chemistry and Dynamics of Excited States: Methods and Applications, 2020 | 16 | 2020 |
| Modelling absorption and emission of a meso-aniline–BODIPY based dye with molecular mechanics F de Jong, M Feldt, J Feldt, JN Harvey Physical Chemistry Chemical Physics 20 (21), 14537-14544, 2018 | 11 | 2018 |
| Stochastic effective core potentials, toward efficient quantum Monte Carlo simulations of molecules with large atomic numbers J Feldt, R Assaraf Journal of Chemical Theory and Computation 17 (3), 1380-1389, 2021 | 5 | 2021 |
| Efficient parallelization of perturbative Monte Carlo QM/MM simulations in heterogeneous platforms S Miranda, J Feldt, F Pratas, RA Mata, N Roma, P Tomás The International Journal of High Performance Computing Applications 31 (6 …, 2017 | 5 | 2017 |
| Study of Specific Ion–Amino Acid Interactions through the Use of Local Correlation Methods JCA Oliveira, J Feldt, N Galamba, RA Mata The Journal of Physical Chemistry A 116 (22), 5464-5471, 2012 | 5 | 2012 |
| Optimization and benchmarking of a perturbative Metropolis Monte Carlo quantum mechanics/molecular mechanics program J Feldt, S Miranda, F Pratas, N Roma, P Tomás, RA Mata The Journal of Chemical Physics 147 (24), 2017 | 3 | 2017 |
| Excited states with selected CI-QMC: chemically accurate excitation energies and geometries M Dash, J Feldt, S Moroni, A Scemama, C Filippi arXiv. org (), 1-12, 0 | 1 | |
| Systematic lowering of the scaling of Monte Carlo calculations by partitioning and subsampling A Bienvenu, J Feldt, J Toulouse, R Assaraf Physical Review E 106 (2), 025301, 2022 | | 2022 |
| Stochastic effective core potentials, improving efficiency using a spin-dependent core definition J Feldt, A Bienvenu, R Assaraf Physical Chemistry Chemical Physics 24 (27), 16687-16693, 2022 | | 2022 |
