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Sherif Abbas

dblp:419/5074 · DBLP profile ↗
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1ranked-venue papers
0as first author
1since 2021 · last 2025
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 1 · 1 since 2021Databases, data management, data science and information retrieval · 1 · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Databases, data mining, and information retrieval
1 paper
Machine learning and data management · 50% Data mining · 50%
Interdisciplinary, comprehensive, and emerging computing
1 paper
Computational science and engineering · 100%

Topics — the 3 heaviest of 3, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Computational science and engineering › computational chemistry › molecular simulation
molecular dynamics
0.912025
Accelerating Long-Term Molecular Dynamics with Physics-Informed Time-Series Forecasting · ICDM 2025
Data mining › time series analysis
time series forecasting
0.912025
Accelerating Long-Term Molecular Dynamics with Physics-Informed Time-Series Forecasting · ICDM 2025
Machine learning and data management
time series learning
0.912025
Accelerating Long-Term Molecular Dynamics with Physics-Informed Time-Series Forecasting · ICDM 2025

Methods — techniques the papers use, named apart from their topics

physics-informed loss · 1.7morse potential · 1.7density functional theory · 1.7
YearPublicationVenuePosition
2025 Accelerating Long-Term Molecular Dynamics with Physics-Informed Time-Series Forecasting
abstract
Efficient molecular dynamics (MD) simulation is vital for understanding atomic-scale processes in materials science and biophysics. Traditional density functional theory (DFT) methods are computationally expensive, which limits the feasibility of long-term simulations. We propose a novel approach that formulates MD simulation as a time-series forecasting problem, enabling advanced forecasting models to predict atomic trajectories via displacements rather than absolute positions. We incorporate a physics-informed loss and inference mechanism based on DFT-parametrised pair-wise Morse potential functions that penalize unphysical atomic proximity to enforce physical plausibility. Our method consistently surpasses standard baselines in simulation accuracy across diverse materials. The results highlight the importance of incorporating physics knowledge to enhance the reliability and precision of atomic trajectory forecasting. Remarkably, it enables stable modeling of thousands of MD steps in minutes, offering a scalable alternative to costly DFT simulations.
Hung Le 0002, Sherif Abbas, Van Dai Do, Huu Hiep Nguyen, Dung Nguyen 0001
ICDM2