| Minimal parameter implicit solvent model for ab initio electronic-structure calculations J Dziedzic, HH Helal, CK Skylaris, AA Mostofi, MC Payne Europhysics Letters 95 (4), 43001, 2011 | 113 | 2011 |
| Gps++: An optimised hybrid mpnn/transformer for molecular property prediction D Masters, J Dean, K Klaser, Z Li, S Maddrell-Mander, A Sanders, H Helal, ... arXiv preprint arXiv:2212.02229, 2022 | 29 | 2022 |
| Gps++: Reviving the art of message passing for molecular property prediction D Masters, J Dean, K Klaser, Z Li, S Maddrell-Mander, A Sanders, H Helal, ... arXiv preprint arXiv:2302.02947, 2023 | 9 | 2023 |
| Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units H Helal, J Firoz, JA Bilbrey, H Sprueill, KM Herman, MM Krell, T Murray, ... Journal of Chemical Information and Modeling 64 (5), 1568-1580, 2024 | 5 | 2024 |
| Generating QM1B with PySCF A Mathiasen, H Helal, K Klaser, P Balanca, J Dean, C Luschi, D Beaini, ... Advances in Neural Information Processing Systems 36, 55036-55050, 2023 | 5 | 2023 |
| Reducing the cost of quantum chemical data by backpropagating through density functional theory A Mathiasen, H Helal, P Balanca, A Krzywaniak, A Parviz, F Hvilshøj, ... arXiv preprint arXiv:2402.04030, 2024 | 3 | 2024 |
| Extreme acceleration of graph neural network-based prediction models for quantum chemistry H Helal, J Firoz, J Bilbrey, MM Krell, T Murray, A Li, S Xantheas, ... arXiv preprint arXiv:2211.13853, 2022 | 3 | 2022 |
| Reducing down (stream) time: Pretraining molecular gnns using heterogeneous ai accelerators JA Bilbrey, KM Herman, H Sprueill, SS Xantheas, P Das, ML Roldan, ... arXiv preprint arXiv:2211.04598, 2022 | 2 | 2022 |
| Repurposing density functional theory to suit deep learning A Mathiasen, H Helal, P Balanca, K Klaeser, J Dean, C Luschi, D Beaini, ... 1st Workshop on the Synergy of Scientific and Machine Learning Modeling …, 2023 | 1 | 2023 |
| Tuple Packing: Efficient Batching of Small Graphs in Graph Neural Networks MM Krell, M Lopez, S Anand, H Helal, AW Fitzgibbon arXiv preprint arXiv:2209.06354, 2022 | 1 | 2022 |
| Including solvent effects in first-principles simulations of biological systems: development, implementation, and application of an implicit solvent model HHA Helal University of Cambridge, 2011 | 1 | 2011 |
| MESS: Modern Electronic Structure Simulations H Helal, A Fitzgibbon arXiv preprint arXiv:2406.03121, 2024 | | 2024 |
| Parallel filtering of large time series of data for filters having recursive dependencies H Helal US Patent 10,671,624, 2020 | | 2020 |
| Implicit solvent model for density functional theory calculations H Helal, M Payne, AA Mostofi APS March Meeting Abstracts 2010, P28. 007, 2010 | | 2010 |
| Implicit solvent model for linear-scaling first-principles electronic structure calculations HH Helal, M Payne, AA Mostofi APS March Meeting Abstracts, L39. 006, 2009 | | 2009 |
