| SparseMaps—A systematic infrastructure for reduced scaling electronic structure methods. V. Linear scaling explicitly correlated coupled-cluster method with pair natural orbitals F Pavošević, C Peng, P Pinski, C Riplinger, F Neese, EF Valeev The Journal of chemical physics 146 (17), 2017 | 147 | 2017 |
| Massively parallel implementation of explicitly correlated coupled-cluster singles and doubles using TiledArray framework C Peng, JA Calvin, F Pavosevic, J Zhang, EF Valeev The Journal of Physical Chemistry A 120 (51), 10231-10244, 2016 | 68 | 2016 |
| Coupled‐cluster singles, doubles and perturbative triples with density fitting approximation for massively parallel heterogeneous platforms C Peng, JA Calvin, EF Valeev International Journal of Quantum Chemistry 119 (12), e25894, 2019 | 50 | 2019 |
| State-averaged pair natural orbitals for excited states: A route toward efficient equation of motion coupled-cluster C Peng, MC Clement, EF Valeev Journal of chemical theory and computation 14 (11), 5597-5607, 2018 | 40 | 2018 |
| Massively Parallel Quantum Chemistry: A high-performance research platform for electronic structure C Peng, CA Lewis, X Wang, MC Clement, K Pierce, V Rishi, F Pavošević, ... The Journal of Chemical Physics 153 (4), 2020 | 29 | 2020 |
| Many-body quantum chemistry on massively parallel computers JA Calvin, C Peng, V Rishi, A Kumar, EF Valeev Chemical Reviews 121 (3), 1203-1231, 2020 | 24 | 2020 |
| Enhanced Fluorescence Properties of Stilbene‐Containing Alternating Copolymers J Huang, X Geng, C Peng, TZ Grove, SR Turner Macromolecular Rapid Communications 39 (4), 1700530, 2018 | 19 | 2018 |
| Communication: Explicitly correlated formalism for second-order single-particle Green’s function F Pavošević, C Peng, JV Ortiz, EF Valeev The Journal of Chemical Physics 147 (12), 2017 | 18 | 2017 |
| The massively parallel quantum chemistry program (mpqc), version 4.0. 0-beta. 1 C Peng, C Lewis, X Wang, M Clement, F Pavosevic, J Zhang, V Rishi, ... | 7 | 2022 |
| Exploration of reduced scaling formulation of equation of motion coupled-cluster singles and doubles based on state-averaged pair natural orbitals C Peng, MC Clement, EF Valeev arXiv preprint arXiv:1802.06738, 2018 | 6 | 2018 |
| Explicitly correlated renormalized second-order Green’s function for accurate ionization potentials of closed-shell molecules NK Teke, F Pavošević, C Peng, EF Valeev The Journal of Chemical Physics 150 (21), 2019 | 5 | 2019 |
| The massively parallel quantum chemistry program (MPQC) C Peng, C Lewis, X Wang, M Clement, F Pavosevic, J Zhang, V Rishi, ... GitHub, version 4, 2008 | 5 | 2008 |
| Tensor contraction on distributed hybrid architectures using a task-based runtime system G Bosilca, D Genet, RJ Harrison, T Herault, MM Javanmard, S Brook, ... | 3 | 2018 |
| Evolving with the hardware: Porting Massively Parallel Quantum Chemistry (MPQC) program to modern heterogeneous architectures C Peng, E Valeev ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Coupled-Cluster Methods for Large Molecular Systems Through Massive Parallelism and Reduced-Scaling Approaches C Peng Virginia Tech, 2018 | | 2018 |
| Reduced scaling and controlled precision: Extending the reach of many-body electronic structure E Valeev, C Peng, F Pavosevic ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| Extending the reach of the CCSD (T) method by massive parallelism and reduced scaling C Peng, F Pavosevic, E Valeev ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| Molecular properties from multiconfiguration explicitly correlated wave functions C Peng, E Valeev ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015 | | 2015 |
| VA USA F Pavoševic, C Peng, P Pinski, C Riplinger, F Neese, EF Valeev | | |
