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Using diffusion Monte Carlo (DMC) and density functional theory (DFT) calculations, we examined the structural stability and interlayer binding properties of PtSe$_2$, a representative transition metal dichalcogenide (TMD) with strong…
The relationship between interactions, flexibility and disorder in proteins has been explored from many angles: folding upon binding, flexibility of the core relative to the periphery, entropy changes, etc. In this work, we provide…
Among numerous challenges to meet the rising global energy demand in a sustainable manner, improving phase change heat transfer has been at the forefront of engineering research for decades. The high heat transfer rates associated with…
The Single-Particle Model (SPM) of Li ion cell \cite{Santhanagopalan06, Guo2011} is a computationally efficient and fairly accurate model for simulating Li ion cell cycling behavior at weak to moderate currents. The model depends on a large…
The integration of more renewable energy sources into the power system is presenting system operators with various challenges. At the distribution system level, voltage magnitudes that violate operating limits near large photovoltaic…
Automating pavement maintenance suggestions is challenging,especially for actionable recommendations such as patching location,depth and priority.It is common practice among State agencies to manually inspect road segments of interest and…
Load points are one of the most vital parts of power systems. Due to the new load forms and programs introduced in the demand side, the load-serving entities (LSEs) no longer deal with lump loads, but rather with more dynamic, rational and…
Cyber-Physical Systems (CPS) allow us to manipulate objects in the physical world by providing a communication bridge between computation and actuation elements. In the current scheme of things, this sought-after control is marred by…
A cyber-physical system (CPS) is a tight coupling of computational resources, network communication, and physical processes. They are composed of a set of networked components, including sensors, actuators, control processing units, and…
In recent years, Artificial Intelligence techniques have proved to be very successful when applied to problems in physical sciences. Here we apply an unsupervised Machine Learning (ML) algorithm called Principal Component Analysis (PCA) as…
State Space Models (SSMs) have emerged as efficient alternatives to Transformers, mitigating their quadratic computational cost. However, the application of Parameter-Efficient Fine-Tuning (PEFT) methods to SSMs remains largely unexplored.…
Machine learning on data streams is increasingly more present in multiple domains. However, there is often data distribution shift that can lead machine learning models to make incorrect decisions. While there are automatic methods to…
The RTS smoother is widely used for state estimation and it is utilized here to increase the data quality with respect to physical coherence and to increase resolution. The purpose of this paper is to enhance the performance of the RTS…
The path probability method (PPM) in the tetrahedron-cactus approximation is applied to the Slater-Takagi model with dipole-dipole interaction for KH2PO4-type hydrogen-bonded ferroelectric crystals in order to derive a small dip structure…
Strategic product placement can have a strong influence on customer purchase behavior in physical stores as well as online platforms. Motivated by this, we consider the problem of optimizing the placement of substitutable products in…
Numerous soft materials jam into an amorphous solid at high packing fraction. This non-equilibrium phase transition is best understood in the context of a model system in which particles repel elastically when they overlap. Recently,…
Background: Software Process Simulation (SPS) has become an effective tool for software process management and improvement. However, its adoption in industry is less than what the research community expected due to the burden of measurement…
Shear banding is a material instability in large strain plastic deformation of solids, where otherwise homogeneous flow becomes localized in narrow micrometer-scale bands. Shear bands have broad implications for materials processing and…
Phase Shifting Transformers (PST) are used to control or block certain flows of real power through phase angle regulation across the device. Its functionality is crucial to special situations such as eliminating loop flow through an area…
Spin systems are fundamental models of statistical physics that provide insight into collective behavior across scientific domains. Their interest to computer science stems in part from the deep connection between the phase transitions they…