What industries does newtsim serve?

newtsim serves oil and gas (flow assurance, drilling fluids, subsea pipeline), pharmaceutical and drug discovery, energy storage (battery materials, electrolytes), semiconductor process simulation, green hydrogen (electrolyser and catalyst design), 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 and no third-party solver dependencies. Constitutive behaviour is predicted from first principles rather than empirically fitted.

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 typically include a scoping call, physics-grounded simulation using the appropriate newtsim solvers, results analysis, and a written report with actionable recommendations.

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. This gives accurate predictions for novel materials and extreme conditions outside the range of experimental data, and enables root-cause analysis at the mechanistic level.

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

GPU parallelism maps naturally to the computational kernels underlying molecular dynamics and CFD: large numbers of independent force or flux calculations that can execute simultaneously. newtsim runs all simulation scales GPU-native, avoiding the CPU-to-GPU data transfers that bottleneck traditional solvers which run physics on CPU and only offload selected operations to the GPU. This removes the transfer overhead and allows the full multiscale chain to run without the latency penalties of heterogeneous pipelines.

Does newtsim replace existing simulation tools like ANSYS or COMSOL?

newtsim fills the multiscale gap, connecting molecular-scale physics to the engineering-scale models that tools like ANSYS operate at. It is not a replacement for FEA-only or single-scale workflows where those tools are the right fit. Where newtsim adds value is in problems where constitutive behaviour, material properties, or interfacial physics need to be derived from lower-scale simulation rather than taken from a handbook or empirical fit.

How long does a fixed-price simulation study take?

Most studies complete in 4 to 8 weeks depending on scope. The standard timeline is: scoping call and problem definition in week 1; simulation execution across the relevant physics scales in weeks 2 to 4; results analysis, validation, and report delivery in weeks 5 to 6. More complex multiscale studies with broader operating envelopes may extend to 8 weeks. Scope and timeline are agreed and fixed before work begins.

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.

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. The ML models are trained on physics simulation data, not empirical measurements, so they inherit the accuracy and extrapolation properties of the underlying physics.

How do I get started with newtsim?

Book a free technical scoping call at newtsim.com/demo. Bring a description of your engineering challenge, the physics you think are important, and any data you have. The call is 45 minutes and 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. The Stream solver handles macroscale CFD for these systems; Bond provides the molecular-scale rheology predictions that replace empirical viscosity fits; and the full chain gives accurate behaviour outside the calibrated range of laboratory data.

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, making it accessible for smaller organisations without large simulation teams. Many newtsim clients are startups and scale-ups who need physics-grounded analysis early in product development before investing in laboratory or pilot-scale work.

What is the difference between molecular dynamics and CFD?

Molecular dynamics (MD) simulates the motion of individual atoms and molecules to compute material properties such as viscosity, diffusivity, reaction rates, and phase behaviour, from first principles. Computational fluid dynamics (CFD) models bulk fluid flow at the engineering scale using those material properties as inputs. newtsim connects the two: MD provides accurate constitutive inputs that CFD uses for engineering-scale predictions, rather than relying on empirical correlations.

What is a surrogate model in simulation?

A surrogate model (also called a reduced-order model or emulator) 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. Because surrogates are trained on physics data, they are more accurate than empirical correlations, especially outside the training range.

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.

Back

The Platform

One engine. Every scale.
Built in-house, validated against experiment.

Every newtsim study and managed service runs on the same proprietary simulation stack — newtsim Root through newtsim Span, GPU-native, with direct data flow between every scale. No third-party solver dependencies. Purpose-built products for oil & gas, drug discovery, and energy storage, with more verticals in development.

Discuss a project

newtsim Root

Electronic structure, reaction pathways, binding energies

newtsim Bond

Transport properties, conformational sampling, free energies

newtsim State

Viscosity, thermal conductivity, diffusion coefficients

newtsim Pack

Mesoscale morphology, polymer systems, lipid bilayers

newtsim Neural

Trained surrogates, rapid design exploration, closed-loop optimisation

newtsim Stream

Multiphase flow, reactive transport, thermal-hydraulic coupling

newtsim Span

Stress, fatigue, damage mechanics, geomechanics

The Platform

The engine behind every engagement.

Every study and managed service runs on the same proprietary simulation stack. Purpose-built solver packages for oil & gas, drug discovery, and energy storage — with more verticals in active development.

Oil & Gas

Reservoir through refinery in one platform. Multiphase flow, structural analysis, and transport properties — connected end-to-end, not stitched together.

Scope — Reservoir → Pipeline → Refinery

Explore

Drug Discovery

Molecular simulation from hit identification through formulation. Quantum chemistry, molecular dynamics, and transport properties — accurate enough to replace wet-lab iterations.

Scope — Target → Lead → Formulation

Explore

Energy Storage

Electrode design through pack-level thermal management. Interface chemistry, ion transport, and structural-thermal coupling — one workflow from material to gigafactory.

Scope — Material → Cell → Pack

Explore

Workflow + AI

Spend time on products. Not simulations.

Most simulation time goes to mesh generation, solver configuration, and post-processing — not physics. The workflow layer handles the overhead so your team focuses on the science.

Connect molecular dynamics to CFD to process engineering in a single canvas. Drag-and-drop. No scripting.

RAPID MODE

Instant solving. Trained on your physics.

Rapid Mode trains an ultra-fast surrogate model on your simulation data. Once trained, it predicts results in milliseconds — turning hours of compute into instant feedback for design exploration.

~2ms

Prediction time

Trained surrogates evaluate in milliseconds — right in the browser. No GPU required for inference.

1000×

Faster than full solve

Skip the heavy compute. Get directionally accurate results instantly for parameter sweeps and design iteration.

99.5%+

Accuracy retained

Latin hypercube sampling + polynomial/MLP training produces surrogates that track the full solver across the design space.

How it works

Run your simulation

Execute your flow normally — newtsim Bond, newtsim Stream, newtsim Span, or any multi-scale workflow.

Train a surrogate

One click generates sample points via Latin hypercube sampling, runs them through the solver, and fits a surrogate model.

Predict instantly

Drag sliders, sweep parameters, run optimisations — all at browser speed. Export results or refine with a full solve.

Want to see the platform on your problem?

We scope studies within 48 hours. Tell us what you're trying to predict, optimise, or prevent.

Grab a scoping call

One engine. Every scale.Built in-house, validated against experiment.

The engine behind every engagement.

Spend time on products. Not simulations.

Instant solving. Trained on your physics.

How it works

Want to see the platform on your problem?

One engine. Every scale.
Built in-house, validated against experiment.