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Recent exoplanet surveys revealed that for solar-type stars, close-in Super-Earths are ubiquitous and many of them are in multi-planet systems. These systems are more compact than the Solar System's terrestrial planets. However, there have…
Molecular Dynamics (MD) simulation is widely used to analyze the properties of molecules and materials. Most practical applications, such as comparison with experimental measurements, designing drug molecules, or optimizing materials, rely…
The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel, and predictive structure-property…
Modeling of physical systems includes extensive use of software packages that implement the accurate finite element method for solving differential equations considered along with the appropriate initial and boundary conditions. When the…
Microstructural heterogeneity affects the macro-scale behavior of materials. Conversely, load distribution at the macro-scale changes the microstructural response. These up-scaling and down-scaling relations are often modeled using…
Accurate prediction of human behavior is crucial for AI systems to effectively support real-world applications, such as autonomous robots anticipating and assisting with human tasks. Real-world scenarios frequently present challenges such…
We undertake the first study of two-planet microlensing models recovered from simulations of microlensing events generated by realistic multi-planet systems in which 292 planetary events including 16 two-planet events were detected from…
Quantum scattering calculations for all but low-dimensional systems at low energies must rely on approximations. All approximations introduce errors. The impact of these errors is often difficult to assess because they depend on the…
In this thesis, we develop multiscale models for particle simulations in population dynamics. These models are characterised by prescribing particle motion on two spatial scales: microscopic and macroscopic. At the microscopic level, each…
Pre-trained large language models (LLM) have emerged as a powerful tool for simulating various scenarios and generating output given specific instructions and multimodal input. In this work, we analyze the specific use of LLM to enhance a…
Obtaining accurate estimates of uncertainty in climate scenarios often requires generating large ensembles of high-resolution climate simulations, a computationally expensive and memory intensive process. To address this challenge, we train…
Crash prediction is a critical component of road safety analyses. A widely adopted approach to crash prediction is application of regression based techniques. The underlying calibration process is often time-consuming, requiring significant…
State of the art exoplanet transit surveys are producing ever increasing quantities of data. To make the best use of this resource, in detecting interesting planetary systems or in determining accurate planetary population statistics,…
Determining the dynamical mass profiles of dispersion-supported galaxies is particularly challenging due to projection effects and the unknown shape of their velocity anisotropy profile. Our goal is to develop a machine learning algorithm…
The problem of classifying turbulent environments from partial observation is key for some theoretical and applied fields, from engineering to earth observation and astrophysics, e.g. to precondition searching of optimal control policies in…
We propose a pebble-driven core accretion scenario to explain the formation of giant planets around the late-M dwarfs of $M_{\star}{=}0.1{-}0.2 \ M_{\odot}$. In order to explore the optimal disk conditions for giant planet, we perform…
Idealized first-principles models of chemical plants can be inaccurate. An alternative is to fit a Machine Learning (ML) model directly to plant sensor data. We use a structured approach: Each unit within the plant gets represented by one…
Molecular dynamics (MD) has become a powerful tool for studying biophysical systems, due to increasing computational power and availability of software. Although MD has made many contributions to better understanding these complex…
Climate models have been key for assessing the impact of climate change and simulating future climate scenarios. The machine learning (ML) community has taken an increased interest in supporting climate scientists' efforts on various tasks…
Understanding how galaxies trace the underlying matter density field is essential for characterizing the influence of the large-scale structure on galaxy formation, being therefore a key ingredient in observational cosmology. This…