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Hatem Helal
Hatem Helal
Graphcore Research
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Titel
Zitiert von
Zitiert von
Jahr
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
1062011
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
162022
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
32023
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, 2024
22024
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
22022
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
12024
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
12023
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
12022
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
12011
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, 2024
2024
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
2022
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
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