Related papers: DEWPython: A Python Implementation of the Deep Ear…
Carbonated water flooding (CWI) increases oil production due to favorable dissolution effects and viscosity reduction. Accurate modeling of CWI performance requires a simulator with the ability to capture the true physics of such process.…
An accurate understanding of the phase diagram of dense hydrogen and helium mixtures is a crucial component in the construction of accurate models of Jupiter, Saturn, and Jovian extrasolar planets. Though DFT based first principles methods…
A new equation of state for a hot and dense hadron gas (HG) is obtained where the finite hard-core size of baryons has been incorporated in a thermodynamically consistent formulation of excluded volume correction. Our model differs from…
A convenient model for estimating the total entropy ({\Sigma}Si) of atmospheric gases based on physical action is proposed. This realistic approach is fully consistent with statistical mechanics, but uses the properties of translational,…
Marine heatwaves (MHWs), an extreme climate phenomenon, pose significant challenges to marine ecosystems and industries, with their frequency and intensity increasing due to climate change. This study introduces an integrated deep learning…
Harvesting condensed atmospheric vapour as dew water can be an alternative or complementary potable water resource in specific arid or insular areas. Such radiation-cooled condensing devices use already existing flat surfaces (roofs) or…
Wet particle separation is widely used in mineral processing and plastic recycling to separate mixtures of particulate materials into further usable fractions due to density differences. This work presents efforts aiming to numerically…
Understanding the planetary envelope composition of sub-Neptune-type exoplanets is challenging due to the inherent degeneracy in their interior composition scenarios. Particularly, the planetary envelope's H2O/H2 ratio, which can also be…
The equation of state of hydrogen-helium (H-He) mixtures plays a vital role in the evolution and structure of gas giant planets and exoplanets. Recent equations of state that account for hydrogen-helium interactions, coupled with…
Gibbs energy representations for ice III, V and VI are reported. These were constructed using new measurements of volumes at high pressure over a range of low temperatures combined with calculated vibrational energies grounded in…
We introduce the cosmological HYPER code based on an innovative hydro-particle-mesh (HPM) algorithm for efficient and rapid simulations of gas and dark matter. For the HPM algorithm, we update the approach of Gnedin & Hui (1998) to expand…
Hydrophobic interactions are central to biological self-assembly and soft matter organization, yet their microscopic origins remain debated. A key hallmark is the strengthening of attraction between hydrophobic solutes with increasing…
We develop a deep variational free energy framework to compute the equation of state of hydrogen in the warm dense matter region. This method parameterizes the variational density matrix of hydrogen nuclei and electrons at finite…
It remains to be ascertained whether sub-Neptune exoplanets primarily possess hydrogen-rich atmospheres or whether a population of H$_2$O-rich "water worlds" lurks in their midst. Addressing this question requires improved modeling of…
We present and validate a new network of atmospheric thermo-chemical and photo-chemical sulfur reactions. We use a 1-D chemical kinetics model to investigate these reactions as part of a broader HCNO chemical network in a series of hot and…
The potential energy landscape (PEL) formalism is a tool within statistical mechanics that has been used in the past to calculate the equation of states (EOS) of classical rigid model liquids at low temperatures, where computer simulations…
We present new equations of state (EOS) for hydrogen and helium covering a wide range of temperatures from 60 K to 10$^7$ K and densities from $10^{-10}$ g/cm$^3$ to $10^3$ g/cm$^3$. They include an extended set of ab initio EOS data for…
Many planets in the solar system and across the galaxy have hydrogen-rich atmospheres overlying more heavy element-rich interiors with which they interact for billions of years. Atmosphere-interior interactions are thus crucial to…
Simulating electronic behavior in materials and devices with realistic large system sizes remains a formidable task within the $ab$ $initio$ framework due to its computational intensity. Here we show DeePTB, an efficient deep learning-based…
We develop a methodological framework and mathematical formulation which yields estimates of the uncertainty associated with the amounts of CO2 generated by carbonate-clays reactions (CCR) in large-scale subsurface systems to assist…