Event generation and statistical sampling for physics with deep generative models and a density information buffer | Nature Communications
Calculation of Diffusion Coefficients through Coarse-Grained Simulations Using the Automated-Fragmentation-Parametrization Method and the Recovery of Wilke–Chang Statistical Correlation | Journal of Chemical Theory and Computation
Learning hydrodynamic equations for active matter from particle simulations and experiments | PNAS
Aerodynamic CFD simulations of experimental and industrial thermal flow reversal reactors - ScienceDirect
Solubility of Water in Hydrogen at High Pressures: A Molecular Simulation Study | Journal of Chemical & Engineering Data
Employing machine learning for theory validation and identification of experimental conditions in laser-plasma physics | Scientific Reports
Observation-infused simulations of high-speed boundary-layer transition | Journal of Fluid Mechanics | Cambridge Core
The simulation results were in a great agreement with the experiment... | Download Table
A scalable, open-source implementation of a large-scale mechanistic model for single cell proliferation and death signaling | Nature Communications
High-Throughput Molecular Dynamics Simulations and Validation of Thermophysical Properties of Polymers for Various Applications | ACS Applied Polymer Materials
Processes | Free Full-Text | Simulation of Batch Slow Pyrolysis of Biomass Materials Using the Process-Flow-Diagram COCO Simulator
Reconciling the Experimental and Computational Hydrogen Evolution Activities of Pt(111) through DFT-Based Constrained MD Simulations | ACS Catalysis
Aerospace | Free Full-Text | GPU Acceleration of CFD Simulations in OpenFOAM
Desalination Potential of Aquaporin-Inspired Functionalization of Carbon Nanotubes: Bridging Between Simulation and Experiment | ACS Applied Materials & Interfaces
Frontiers | On the Influence of Kinetic Uncertainties on the Accuracy of Numerical Modeling of an Industrial Flameless Furnace Fired With NH3/H2 Blends: A Numerical and Experimental Study
Minerals | Free Full-Text | The Modeling of Laboratory Experiments with COMSOL Multiphysics Using Simplified Hydromechanical Model
Combustion of n-C3–C6 Linear Alcohols: An Experimental and Kinetic Modeling Study. Part II: Speciation Measurements in a Jet-Stirred Reactor, Ignition Delay Time Measurements in a Rapid Compression Machine, Model Validation, and Kinetic
HESS - Hydrological modeling using the Soil and Water Assessment Tool in urban and peri-urban environments: the case of Kifisos experimental subbasin (Athens, Greece)
Of Course We're Living in a Simulation | WIRED
Data‐Driven Machine Learning for Understanding Surface Structures of Heterogeneous Catalysts - Li - 2023 - Angewandte Chemie International Edition - Wiley Online Library
Structural, Thermodynamic, and Transport Properties of Aqueous Reline and Ethaline Solutions from Molecular Dynamics Simulations | The Journal of Physical Chemistry B
Industrial Case-Study-Based Computational Fluid Dynamic (CFD) Modeling of Stirred and Aerated Bioreactors | ACS Omega
The simulation results were in a great agreement with the experiment... | Download Table
IJMS | Free Full-Text | Synthesis of Shape-Memory Polyurethanes: Combined Experimental and Simulation Studies
A New Force Field for OH– for Computing Thermodynamic and Transport Properties of H2 and O2 in Aqueous NaOH and KOH Solutions | The Journal of Physical Chemistry B
Quantitative agreement between experiments, simulations and analytical... | Download Scientific Diagram
