Related papers: eT 1.0: an open source electronic structure progra…
Test-Time Training (TTT) has emerged as a promising solution to address distribution shifts in 3D point cloud classification. However, existing methods often rely on computationally expensive backpropagation during adaptation, limiting…
Mixture-of-Experts (MoE) architectures enable efficient scaling of large language models by activating only a subset of parameters per input. However, existing MoE models suffer from two critical limitations: (1) inefficient token-to-expert…
We propose Easy End-to-End Diffusion-based Text to Speech, a simple and efficient end-to-end text-to-speech model based on diffusion. E3 TTS directly takes plain text as input and generates an audio waveform through an iterative refinement…
Optical responses in an excitonic insulating (EI) system with strong electron correlation are studied. We adopt the two-orbital Hubbard model with a finite energy difference between the two orbitals where the spin state degree of freedom…
In order to explore the effects of high levels of electron correlation on the real-time coupled cluster formalism and algorithmic behavior, we introduce a time-dependent implementation of the CC3 singles, doubles and approximate triples…
The cluster expansion method is applied to electronic excitations and a set of effective cluster density of states (ECDOS) are defined, analogous to effective cluster interactions (ECI). The ECDOS are used to generate alloy thermodynamic…
We scrutinize the performance of different variants of equation of motion coupled cluster (EOM-CC) methods to predict electronic excitation energies and excited state potential energy surfaces in closed-shell actinide species. We focus our…
This work presents a comprehensive study of preconditioning strategies for the Electric Field Integral Equation (EFIE) using On-Surface Radiation Condition (OSRC) operators. We examine two distinct formulations -- the Magnetic-to-Electric…
This manuscript presents verification cases that are developed to study the electrothermal instability (ETI). Specific verification cases are included to ensure that the unit physics components necessary to model the ETI are accurate,…
The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…
Hardware-based Trusted Execution Environments (TEEs) are becoming increasingly prevalent in cloud computing, forming the basis for confidential computing. However, the security goals of TEEs sometimes conflict with existing cloud…
The High Level Trigger (HLT) of the future ALICE heavy-ion experiment has to reduce its input data rate of up to 25 GB/s to at most 1.25 GB/s for output before the data is written to permanent storage. To cope with these data rates a large…
The Effective Field Theory of Large-Scale Structure (EFTofLSS) attempts to amend some of the shortcomings of the traditional perturbative methods used in cosmology. It models the evolution of long-wavelength perturbations above a cutoff…
In this article, a new generic higher-order finite-element framework for massively parallel simulations is presented. The modular software architecture is carefully designed to exploit the resources of modern and future supercomputers.…
Density functional theory (DFT) has greatly expanded our ability to affordably compute and understand electronic ground states, by replacing intractable {\em ab initio} calculations by models based on paradigmatic physics from high- and…
Traditional ETL and ELT design patterns struggle to meet modern requirements of scalability, governance, and real-time data processing. Hybrid approaches such as ETLT (Extract-Transform-Load-Transform) and ELTL (Extract-Load-Transform-Load)…
Theoretical spectroscopy, and more generally, electronic-structure theory, are powerful concepts for describing the complex many-body interactions in materials. They comprise a variety of methods that can capture all aspects, from…
Efficient exploitation of exascale architectures requires rethinking of the numerical algorithms used in many large-scale applications. These architectures favor algorithms that expose ultra fine-grain parallelism and maximize the ratio of…
Modern electronic systems become evermore complex, yet remain modular, with integrated circuits (ICs) acting as versatile hardware components at their heart. Electronic design automation (EDA) for ICs has focused traditionally on power,…
Multi-access edge computing (MEC) is capable of meeting the challenging requirements of next-generation networks, e.g., 6G, as a benefit of providing computing and caching capabilities in the close proximity of the users. However, the…