Related papers: Combustion Toolbox: An open-source thermochemical …
Most existing distillation methods ignore the flexible role of the temperature in the loss function and fix it as a hyper-parameter that can be decided by an inefficient grid search. In general, the temperature controls the discrepancy…
Realistic numerical simulations, i.e., those that make minimal use of ad hoc modeling, are essential for understanding the complex turbulent dynamics of the interiors and atmospheres of the Sun and other stars and the basic mechanisms of…
The combustion instability is investigated computationally for a ten-injector rocket engine using the compressible flamelet progress variable (FPV) model and detached eddy simulation (DES). An C++ code is developed based on OpenFOAM 4.1 to…
The superconducting transition temperatures of high-Tc compounds based on copper, iron, ruthenium and certain organic molecules are discovered to be dependent on bond lengths, ionic valences, and Coulomb coupling between electronic bands in…
We present the TRIQS library, a Toolbox for Research on Interacting Quantum Systems. It is an open-source, computational physics library providing a framework for the quick development of applications in the field of many-body quantum…
We introduce DeePKS-kit, an open-source software package for developing machine learning based energy and density functional models. DeePKS-kit is interfaced with PyTorch, an open-source machine learning library, and PySCF, an ab initio…
Theoretical predictions in high energy physics are routinely provided in the form of Monte Carlo generators. Comparisons of predictions from different programs and/or different initialization set-ups are often necessary. MC-TESTER can be…
We develop an exact theory of coherence-selective stroboscopic resetting for quadratic open quantum systems within the single-particle density-matrix formalism. We focus on the survival of coherences and the associated thermodynamic cost at…
Prediction of critical temperature $(T_c)$ of a superconductor remains a significant challenge in condensed matter physics. While the BCS theory explains superconductivity in conventional superconductors, there is no framework to predict…
The CCT (Coupled Cavity Tuning) code automates the RF calculations and sizing of RF cavities for the CCL (Coupled Cavity Linac) structures of APT. It is planned to extend the code to the CCDTL (Coupled Cavity Drift Tube Linac). The CCT code…
Quantum computing has attracted the attention of the scientific community in the past few decades. However, despite some relevant advantages, near-term quantum devices remain severely limited by thermal effects, which induce decoherence and…
This paper introduces a control co-design (CCD) framework to simultaneously explore the physical parameters and control spaces for a hydro-kinetic turbine (HKT) rotor optimization. The optimization formulation incorporates a coupled…
Hydrodynamical interaction in circumbinary discs (CBDs) plays a crucial role in various astrophysical systems, ranging from young stellar binaries to supermassive black hole binaries in galactic centers. Most previous simulations of…
We introduce the FCHL19 representation for atomic environments in molecules or condensed-phase systems. Machine learning models based on FCHL19 are able to yield predictions of atomic forces and energies of query compounds with chemical…
Fault-Tolerant Quantum Computing (FTQC) relies on Quantum Error Correction (QEC) codes to reach error rates necessary for large scale quantum applications. At a physical level, QEC codes perform parity checks on data qubits, producing…
Increasing complexity of scientific simulations and HPC architectures are driving the need for adaptive workflows, where the composition and execution of computational and data manipulation steps dynamically depend on the evolutionary state…
The Circuit Satisfiability (CSAT) problem, a variant of the Boolean Satisfiability (SAT) problem, plays a critical role in integrated circuit design and verification. However, existing SAT solvers, optimized for Conjunctive Normal Form…
We describe the CRASH (Center for Radiative Shock Hydrodynamics) code, a block adaptive mesh code for multi-material radiation hydrodynamics. The implementation solves the radiation diffusion model with the gray or multigroup method and…
Information-processing systems that coordinate multiple agents and objectives face fundamental thermodynamic constraints. We show that solutions with maximum utility to act as coordination focal points have a much higher selection pressure…
We describe CPMC-Lab, a Matlab program for the constrained-path and phaseless auxiliary-field Monte Carlo methods. These methods have allowed applications ranging from the study of strongly correlated models, such as the Hubbard model, to…