| Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems N Tancogne-Dejean, MJT Oliveira, X Andrade, H Appel, CH Borca, ... The Journal of chemical physics 152 (12), 2020 | 297 | 2020 |
| Exploring connections between statistical mechanics and Green’s functions for realistic systems: Temperature dependent electronic entropy and internal energy from a self … AR Welden, AA Rusakov, D Zgid The Journal of chemical physics 145 (20), 2016 | 56 | 2016 |
| Efficient temperature-dependent Green’s function methods for realistic systems: Using cubic spline interpolation to approximate Matsubara Green’s functions AA Kananenka, AR Welden, TN Lan, E Gull, D Zgid Journal of chemical theory and computation 12 (5), 2250-2259, 2016 | 43 | 2016 |
| Modelling of forest stand dynamics using Markov chains N Strigul, I Florescu, AR Welden, F Michalczewski Environmental Modelling & Software 31, 64-75, 2012 | 37 | 2012 |
| Towards the simulation of large scale protein–ligand interactions on NISQ-era quantum computers FD Malone, RM Parrish, AR Welden, T Fox, M Degroote, E Kyoseva, ... Chemical Science 13 (11), 3094-3108, 2022 | 33 | 2022 |
| Compute-to-learn: Authentic learning via development of interactive computer demonstrations within a peer-led studio environment M Jafari, AR Welden, KL Williams, B Winograd, E Mulvihill, ... Journal of Chemical Education 94 (12), 1896-1903, 2017 | 10 | 2017 |
| Ionization potentials and electron affinities from the extended Koopmans' theorem in self-consistent Green's function theory AR Welden, JJ Phillips, D Zgid arXiv preprint arXiv:1505.05575, 2015 | 9 | 2015 |
| Accurate non-covalent interaction energies on noisy intermediate-scale quantum computers via second-order symmetry-adapted perturbation theory M Loipersberger, FD Malone, AR Welden, RM Parrish, T Fox, M Degroote, ... Chemical Science 14 (13), 3587-3599, 2023 | 3 | 2023 |
| Finite-Temperature Green's Function Methods for ab-initio Quantum Chemistry: Thermodynamics, Spectra, and Quantum Embedding A Welden | 1 | 2018 |
| Interaction Energies on Fault-Tolerant Quantum Computers N Moll, M Degroote, E Kyoseva, R Santagati, M Streif, C Tautermann, ... APS March Meeting Abstracts 2023, Y72. 013, 2023 | | 2023 |
| Interaction Energies on Noisy Intermediate-Scale Quantum Computers M Loipersberger, FD Malone, AR Welden, RM Parrish, T Fox, M Degroote, ... arXiv preprint arXiv:2207.00218, 2022 | | 2022 |
| Towards the Simulation of Large Scale Protein-Ligand Interactions on NISQ-era Quantum Computers M Streif, F Malone, R Parrish, A Welden, T Fox, M Degroote, E Kyoseva, ... APS March Meeting Abstracts 2022, B01. 003, 2022 | | 2022 |
| Quantum Non-Equilibrium Dynamics Prediction of Electronic Transport Coefficients in Non-Linear Regimes AA Correa, X Andrade, AR Welden, J Herriman, R Ullah Lawrence Livermore National Lab.(LLNL), Livermore, CA (United States), 2020 | | 2020 |
| Thermoelectric properties from time-dependent density functional theory A Welden, X Andrade, A Correa Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems JJS Jestädt, AH Larsen, IV Lebedeva, M Lüders, MAL Marques, ... | | 2020 |
| First principles simulation of the non-linear Peltier effect X Andrade, A Welden, A Correa APS March Meeting Abstracts 2019, P17. 007, 2019 | | 2019 |
| Accurate temperature dependent methods for QM/QM embedding A Welden, D Zgid ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| QM/QM embedding scheme for strongly correlated problems D Zgid, L Tran, A Kananenka, A Welden ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| Using second order Green's function theory to calculate ionization potentials and electron affinities A Welden, J Phillips, D Zgid ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015 | | 2015 |
| Calculation of ionization potentials and electron affinities within second order Green's function theory A Welden, J Phillips, D Zgid ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015 | | 2015 |
