Data‐Driven Machine Learning for Understanding Surface Structures of Heterogeneous Catalysts - Li - 2023 - Angewandte Chemie International Edition - Wiley Online Library
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
Solubility of Water in Hydrogen at High Pressures: A Molecular Simulation Study | Journal of Chemical & Engineering Data
Buildings | Free Full-Text | BIM and BEM Methodologies Integration in Energy-Efficient Buildings Using Experimental Design
Numerical and experimental simulation of gas-liquid two-phase flow in 90-degree elbow - ScienceDirect
Energies | Free Full-Text | A New Modeling Framework for Multi-Scale Simulation of Hydraulic Fracturing and Production from Unconventional Reservoirs
Processes | Free Full-Text | Simulation of Batch Slow Pyrolysis of Biomass Materials Using the Process-Flow-Diagram COCO Simulator
Desalination Potential of Aquaporin-Inspired Functionalization of Carbon Nanotubes: Bridging Between Simulation and Experiment | ACS Applied Materials & Interfaces
On scientific understanding with artificial intelligence | Nature Reviews Physics
High-Throughput Molecular Dynamics Simulations and Validation of Thermophysical Properties of Polymers for Various Applications | ACS Applied Polymer Materials
An Overview of Experiments and Numerical Simulations on Airflow and Aerosols Deposition in Human Airways and the Role of Bioaerosol Motion in COVID-19 Transmission - Aerosol and Air Quality Research
Aerodynamic CFD simulations of experimental and industrial thermal flow reversal reactors - ScienceDirect
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
Application of Machine Learning in Optimizing Proton Exchange Membrane Fuel Cells: A Review - ScienceDirect
Aerospace | Free Full-Text | GPU Acceleration of CFD Simulations in OpenFOAM
HESS - Hydrological modeling using the Soil and Water Assessment Tool in urban and peri-urban environments: the case of Kifisos experimental subbasin (Athens, Greece)
Minerals | Free Full-Text | The Modeling of Laboratory Experiments with COMSOL Multiphysics Using Simplified Hydromechanical Model
Event generation and statistical sampling for physics with deep generative models and a density information buffer | Nature Communications
Molecules | Free Full-Text | Guidelines for the Simulations of Nitroxide X-Band cw EPR Spectra from Site-Directed Spin Labeling Experiments Using SimLabel
Reconciling the Experimental and Computational Hydrogen Evolution Activities of Pt(111) through DFT-Based Constrained MD Simulations | ACS Catalysis
Employing machine learning for theory validation and identification of experimental conditions in laser-plasma physics | Scientific Reports
A scalable, open-source implementation of a large-scale mechanistic model for single cell proliferation and death signaling | Nature Communications
Of Course We're Living in a Simulation | WIRED
Quantitative agreement between experiments, simulations and analytical... | Download Scientific Diagram
Integration of machine learning with neutron scattering for the Hamiltonian tuning of spin ice under pressure | Communications Materials
