Molecules | Free Full-Text | Guidelines for the Simulations of Nitroxide X-Band cw EPR Spectra from Site-Directed Spin Labeling Experiments Using SimLabel
Quantitative agreement between experiments, simulations and analytical... | Download Scientific Diagram
Industrial Case-Study-Based Computational Fluid Dynamic (CFD) Modeling of Stirred and Aerated Bioreactors | ACS Omega
Integration of machine learning with neutron scattering for the Hamiltonian tuning of spin ice under pressure | Communications Materials
Establishing a Safe Container for Learning in Simulation
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
Data‐Driven Machine Learning for Understanding Surface Structures of Heterogeneous Catalysts - Li - 2023 - Angewandte Chemie International Edition - Wiley Online Library
Application of Machine Learning in Optimizing Proton Exchange Membrane Fuel Cells: A Review - ScienceDirect
The simulation results were in a great agreement with the experiment... | Download Table
Learning hydrodynamic equations for active matter from particle simulations and experiments | PNAS
Reconciling the Experimental and Computational Hydrogen Evolution Activities of Pt(111) through DFT-Based Constrained MD Simulations | ACS Catalysis
Observation-infused simulations of high-speed boundary-layer transition | Journal of Fluid Mechanics | Cambridge Core
Aerospace | Free Full-Text | GPU Acceleration of CFD Simulations in OpenFOAM
High-Throughput Molecular Dynamics Simulations and Validation of Thermophysical Properties of Polymers for Various Applications | ACS Applied Polymer Materials
The simulation results were in a great agreement with the experiment... | Download Table
Energies | Free Full-Text | A New Modeling Framework for Multi-Scale Simulation of Hydraulic Fracturing and Production from Unconventional Reservoirs
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
Solubility of Water in Hydrogen at High Pressures: A Molecular Simulation Study | Journal of Chemical & Engineering Data
shows that the experimental results are in good agreement with those of... | Download Scientific Diagram
Minerals | Free Full-Text | The Modeling of Laboratory Experiments with COMSOL Multiphysics Using Simplified Hydromechanical Model
Structural, Thermodynamic, and Transport Properties of Aqueous Reline and Ethaline Solutions from Molecular Dynamics Simulations | The Journal of Physical Chemistry B
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
A scalable, open-source implementation of a large-scale mechanistic model for single cell proliferation and death signaling | Nature Communications
