相关论文: Multiresolution Coupled Vertical Equilibrium Model…
3D molecule generation is crucial for drug discovery and material science, requiring models to process complex multi-modalities, including atom types, chemical bonds, and 3D coordinates. A key challenge is integrating these modalities of…
In the context of energy transition, industrial plants that heavily rely on electricity face more and more price volatility. To continue operating in these conditions, the directors become continually more willing to increase their…
Depleted carbonate hydrocarbon reservoirs are promising sites for geological CO2 storage, yet the presence of residual hydrocarbons introduces complex pore-scale interactions that influence the dynamics of solid dissolution. This study…
Direct air capture of Carbon Dioxide is a technical solution that does not rely on natural processes to capture CO2 from the atmosphere. In DAC, the filter material is designed to specifically bind CO2 molecules. Hence a high-capacity…
Carbon dioxide (CO2) capture and subsurface storage is one method for reducing anthropogenic CO2 emissions to mitigate climate change. It is well known that large-scale fluid injection into the subsurface leads to a buildup in pressure that…
We present a novel multi-scale embedding scheme that links conventional QM/MM embedding and bootstrap embedding (BE) to allow simulations of large chemical systems on limited quantum devices. We also propose a mixed-basis BE scheme that…
This paper introduces the model, numerical methods, algorithms and parallel implementation of a thermal reservoir simulator that designed for numerical simulations of thermal reservoir with multiple components in three dimensional domain…
Computer simulation is an important tool for scientific progress, especially when lab experiments are either extremely costly and difficult or lack the required resolution. However, all of the simulation methods come with limitations. In…
Designing large-scale geological carbon capture and storage projects and ensuring safe long-term CO2 containment - as a climate change mitigation strategy - requires fast and accurate numerical simulations. These simulations involve solving…
Geological Carbon Storage (GCS) is a key technology for achieving global climate goals by capturing and storing CO2 in deep geological formations. Its effectiveness and safety rely on accurate monitoring of subsurface CO2 migration using…
Carbon dioxide (CO2) storage reservoirs commonly exhibit sedimentary architecture that reflects fluvial deposition. The heterogeneity in petrophysical properties arising from this architecture influences the dynamics of injected CO2. We…
Understanding the details of small-scale convection and storm formation is crucial to accurately represent the larger-scale planetary dynamics. Presently, atmospheric scientists run high-resolution, storm-resolving simulations to capture…
Compressed air energy storage (CAES) is suitable for large-scale energy storage and can help to increase the penetration of wind power in power systems. A CAES plant consists of compressors, expanders, caverns, and a motor/generator set.…
Carbon dioxide Capture and Storage (CCS) is an important strategy in mitigating anthropogenic CO$_2$ emissions. In order for CCS to be successful, large quantities of CO$_2$ must be stored and the storage site conformance must be monitored.…
CO$_2$ sequestration in deep saline formations is an effective and important process to control the rapid rise in CO$_2$ emissions. The process of injecting CO$_2$ requires reliable predictions of the stress in the formation and the fluid…
A numerical algorithm for solving mantle convection problems with strongly variable viscosity is presented. Equations for conservation of mass and momentum for highly viscous and incompressible fluids are solved iteratively by a multigrid…
Quantitative monitoring of subsurface changes is essential for ensuring the safety of geological CO2 sequestration. Full-waveform monitoring (FWM) can resolve these changes at high spatial resolution, but conventional deterministic…
As variable renewable energy sources comprise a growing share of total electricity generation, energy storage technologies are becoming increasingly critical for balancing energy generation and demand. In this study, we modeled an existing…
Fast assimilation of monitoring data to update forecasts of pressure buildup and carbon dioxide (CO2) plume migration under geologic uncertainties is a challenging problem in geologic carbon storage. The high computational cost of data…
A promising option for storing large-scale quantities of green gases (e.g., hydrogen) is in subsurface rock salt caverns. The mechanical performance of salt caverns utilized for long-term subsurface energy storage plays a significant role…