How does newtsim approach oil and gas flow assurance simulation?

newtsim runs a continuous physics chain from molecular wax crystallisation to full pipeline transient multiphase flow, with no empirical handoffs between scales. Wax appearance temperatures, gel strength, and deposition kinetics are predicted from molecular dynamics (newtsim Bond), passed directly to mesoscale morphology (newtsim Pack), and then propagated into multiphase CFD (newtsim Stream), giving flow assurance predictions that hold outside the range of laboratory data.

Can newtsim simulate battery electrolyte behaviour and degradation?

Yes. The Bond solver runs molecular dynamics for Li-ion transport and solid-electrolyte interphase (SEI) formation; Pack handles electrode morphology at the mesoscale; these results couple upward to cell-scale electrochemical models. This gives physics-grounded predictions of electrolyte degradation, capacity fade, and thermal behaviour without relying solely on empirical ageing fits.

How does physics-grounded drug discovery simulation differ from docking software?

Molecular docking software treats the protein and ligand as rigid bodies and scores binding poses by geometry. Physics-grounded simulation uses molecular dynamics to capture conformational flexibility and explicit solvation effects that rigid-body docking misses, predicting binding free energy, ADMET properties, and metabolic activation from first principles. This is particularly valuable for targets where induced-fit binding or solvent-mediated interactions drive selectivity.

What deliverables does a simulation study produce?

A newtsim simulation study delivers: a validated multiscale model calibrated to your system; an operating envelope with physics-based safety margins; a written technical report with findings and actionable recommendations; and optionally CFD visualisations or an ML surrogate model (newtsim Neural) for fast design-space exploration by your engineering team.

Does newtsim work for green hydrogen electrolyser and catalyst design?

Yes. The Stream solver handles proton exchange membrane and alkaline electrolyser CFD: multiphase flow, bubble dynamics, and membrane transport. Bond handles catalyst surface reaction molecular dynamics, giving adsorption energies and reaction barriers from first principles rather than from empirical correlations. Neural then produces fast-to-run surrogate models for design-space exploration and stack optimisation, reducing the iteration cost for new catalyst compositions and electrode architectures.

newtsim is a physics-grounded multiscale simulation consulting firm and software platform. We deliver fixed-price simulation studies and platform licences for industrial clients, covering the full physics chain from quantum mechanics and molecular dynamics through to plant-scale CFD and structural mechanics. All solvers run GPU-native.

What deliverables does a newtsim simulation study produce?

A newtsim simulation study delivers: (1) a validated multiscale model calibrated to your system; (2) an operating envelope with physics-based safety margins; (3) a written technical report with findings and actionable recommendations; and optionally (4) CFD visualisations and an ML surrogate model for fast ongoing design-space exploration by your engineering team.

Predict failures. Optimise yields. Before you build anything.

Physics-grounded industrial simulation: defined scope, known cost, delivered in weeks not quarters. Molecular scale to plant scale, across O&G, pharma, energy storage, semiconductor, and more.

newtsim applies multiscale simulation to complex industrial problems. We run the full physics chain from quantum mechanics and molecular dynamics through to plant-scale CFD and structural mechanics, GPU-native, with direct data flow between every scale. Constitutive behaviour is predicted from first principles, not fitted to empirical data.

Grab a scoping call

Fixed-price simulation studies. Defined scope. Delivered in weeks.

Fixed-Price Studies: Scoped simulation work with defined deliverables and fixed cost agreed upfront. Most studies deliver in 4–8 weeks.
Managed Simulation Services: Ongoing physics-based simulation support, continuous monitoring, and model maintenance.
Platform Licences: Access to the newtsim GPU-native multiscale simulation platform for in-house teams.

Industries

Oil & Gas: Flow assurance, pipeline integrity, reservoir optimisation, drilling fluid simulation, wax deposition, hydrate formation prediction.
Drug Discovery: Binding affinity prediction, ADMET screening, lead optimisation, solubility prediction, metabolic activation from first principles.
Energy Storage: Battery electrolyte molecular dynamics, SEI formation, electrode morphology simulation, Li-ion transport optimisation.
Semiconductor: Deposition process simulation, etch profile prediction, thin-film stress analysis, plasma chemistry modelling.
Green Hydrogen: Electrolyser CFD, PEM and alkaline cell simulation, catalyst surface reaction MD, design space exploration via ML surrogates.
Nuclear Decommissioning: Radiation transport, corrosion modelling, contaminated fluid handling, structural integrity assessment.
Aerospace & Composites: Composite failure prediction, fatigue analysis, thermal stress, manufacturing defect simulation.
Corrosion & Materials: Stress corrosion cracking, galvanic corrosion, passivation layer dynamics, materials degradation prediction.
Carbon Capture: Solvent absorption CFD, amine degradation MD, packed column simulation, DAC sorbent optimisation.
Agrochemicals: Formulation stability, spray drift modelling, soil transport simulation, degradation kinetics from first principles.
Mining & Geotechnical: Tailings dam simulation, slope stability, slurry pipeline transport, mineral processing optimisation.
Fermentation & Bioprocessing: Bioreactor CFD, mixing optimisation, mass transfer prediction, scale-up from bench to plant.

The newtsim Platform

GPU-native multiscale simulation platform. One physics chain covering every scale:

newtsim Root: Quantum mechanics and electronic structure
newtsim Bond: Molecular dynamics and transport properties
newtsim Pack: Mesoscale morphology and polymer systems
newtsim Neural: ML-trained surrogates for rapid design exploration
newtsim Stream: Multiphase CFD and reactive transport
newtsim Span: Structural mechanics and fatigue analysis

No third-party solver dependencies. Direct data flow between every scale. Constitutive behaviour derived from lower-scale physics rather than empirically fitted.

Explore the platform

What is physics-grounded simulation?

Standard simulation tools use empirical correlations tuned to experimental data. When you operate outside the calibration range (novel materials, extreme conditions, new formulations) empirical models fail silently. Physics-grounded simulation derives material properties and constitutive behaviour from lower-scale physics instead. The result is accurate predictions for scenarios you have never run before.

Resources

All resources

Frequently Asked Questions

What is newtsim?

newtsim is a physics-grounded multiscale simulation consulting firm and software platform. We apply GPU-native simulation from quantum mechanics and molecular dynamics through to plant-scale CFD and structural mechanics, delivering fixed-price studies and platform licences for industrial clients.

What industries does newtsim serve?

newtsim serves oil and gas, pharmaceutical and drug discovery, energy storage, semiconductor, green hydrogen, nuclear decommissioning, aerospace and composites, corrosion and materials, carbon capture, agrochemicals, mining and geotechnical, and fermentation and bioprocessing.

How is newtsim different from standard CFD or simulation software?

Standard simulation tools use empirical models at a single scale. newtsim runs the full physics chain from quantum mechanics and molecular dynamics through to plant-scale CFD and structural mechanics, GPU-native, with direct data flow between every scale. Constitutive behaviour is predicted from first principles rather than empirically fitted.

What is physics-grounded simulation?

Physics-grounded simulation derives material properties and constitutive behaviour from lower-scale physics (molecular dynamics and quantum mechanics) rather than from empirical fitting to experimental data. This gives accurate predictions for novel materials and extreme conditions outside the range of experimental data.

What does a fixed-price simulation study include?

A newtsim fixed-price study has a defined scope, clear deliverables, fixed cost agreed upfront, and is delivered in weeks rather than quarters. Studies include a scoping call, physics-grounded simulation using the appropriate newtsim solvers, results analysis, and a written report with actionable recommendations.

How long does a fixed-price simulation study take?

Most studies complete in 4 to 8 weeks depending on scope. Scope and timeline are agreed and fixed before work begins.

Does newtsim replace existing simulation tools like ANSYS or COMSOL?

newtsim fills the multiscale gap, connecting molecular-scale physics to engineering-scale models. It is not a direct replacement for FEA-only workflows, but adds value where constitutive behaviour, material properties, or interfacial physics need to be derived from lower-scale simulation.

What makes GPU-native simulation faster than CPU-based CFD?

GPU parallelism maps naturally to the computational kernels underlying molecular dynamics and CFD. newtsim runs all simulation scales GPU-native, avoiding CPU-to-GPU data transfer bottlenecks that slow traditional solvers.

Does newtsim use artificial intelligence or machine learning?

Yes. newtsim Neural produces ML-trained surrogate models derived from high-fidelity physics simulations. These surrogates run in milliseconds rather than hours, enabling rapid design-space exploration and real-time control without sacrificing physical accuracy.

How do I get started with newtsim?

Book a free technical scoping call at newtsim.com/demo. The 45-minute call produces a problem definition, proposed physics chain, and outline scope that forms the basis of a fixed-price proposal.

Can newtsim simulate non-Newtonian fluids?

Yes. newtsim specialises in non-Newtonian flow: yield-stress fluids, viscoelastic materials, shear-thinning and shear-thickening systems, and complex multiphase flows. Stream handles macroscale CFD; Bond provides molecular-scale rheology predictions that replace empirical viscosity fits.

Does newtsim work for small companies or startups?

Yes. Fixed-price studies are available to clients of any size. The fixed-price, fixed-scope model means you know the cost before committing, accessible for smaller organisations without large simulation teams.

What is the difference between molecular dynamics and CFD?

Molecular dynamics (MD) simulates individual atoms and molecules to compute material properties from first principles. CFD models bulk fluid flow at engineering scale using those properties as inputs. newtsim connects the two: MD provides accurate constitutive inputs for engineering-scale CFD predictions.

What is a surrogate model in simulation?

A surrogate model is a fast mathematical approximation of a complex simulation. newtsim Neural builds ML surrogates trained on high-fidelity physics simulation data. Once trained, a surrogate evaluates in milliseconds instead of hours, enabling real-time optimisation and design-space exploration.

Key Definitions

Multiscale simulation: Simulation methodology that links physics across many length and time scales with direct data flow at every interface. The chain runs from quantum mechanics and molecular dynamics up through continuum CFD and structural mechanics, with no empirical handoffs between levels.
Flow assurance: Engineering discipline covering reliable hydrocarbon transport through production systems. Covers risk areas like wax deposition and hydrate formation among other flow threats.
Molecular dynamics (MD): Computational method that simulates individual atoms and molecules to derive transport properties, phase behaviour, and reaction kinetics from first principles rather than from empirical correlations. Motion is governed by force fields parameterised against experimental or ab initio data.

Contact

Email: max@newtsim.com

Book a technical scoping call