Agentic computational science · verified engineering

Verified agentic discovery and design for thermofluid systems.

I help industrial R&D teams improve heat-transfer and multiphase-flow systems—with quantified uncertainty. Agentic workflows accelerate CFD model development, testing, and optimization; verification, provenance, and human review show which improvements can be trusted.

Computational scientistResearch leaderConsultant
Experiment, three-dimensional simulation, and tracked interface profiles during microcavity filling
Industrial microcavity fillingexperiment × 3D VOF
Portrait of Tomislav Marić
Tomislav MarićDarmstadt, Germany
23peer-reviewed contributions
5fully industry-funded doctoral projects
4connected Bosch microfluidics studies
6completed doctorates as primary supervisor
Industrial R&DScope a difficult engineering decisionDiagnosis, verified baselines, auditable optimization, and transfer to your team → Public collaborationsSee the shared work and evidenceBosch, HPE, Rimac, and the University of Manchester → Academic profileReview the complete public CVAppointments, chronology, leadership, teaching, and service →

Primary design service

Topology, shape, and parameter optimization for heat-transfer and multiphase-flow systems.

Agentic workflows coordinate model development, solver execution, verification, evidence extraction, and auditable design records. Bayesian optimization directs expensive evaluations. Open-source CFD resolves the governing physics. Feasibility, convergence, conservation, provenance, and engineering judgment remain visible in every accepted result.

Application range
Conjugate heat transfer, thermal management, microfluidic filling, wetting, mixing, and multiphase transport.
Evidence today
OpenFOAM work since 2007, co-authorship of The OpenFOAM Technology Primer, a CAD-to-OpenFOAM CHT evaluator, verified multiphase methods, and industrial microfluidic studies.
Current stage
MVP development: expert-led design loops with reusable evaluators, acceptance gates, provenance records, and agent orchestration.
Best first step
A design brief describing the geometry, operating envelope, objective, constraints, available evidence, and whether an NDA is required before technical details are shared.

Connected capabilities

From physical fidelity to operational confidence.

Each layer strengthens the next: resolved physics generates meaningful data; probabilistic models expose uncertainty; optimization converts both into action.

01

Resolved numerical simulations

Verified interface, wetting, transport, and conservation methods for unstructured finite-volume calculations.

02

Complex industrial multiphase flows

Microfluidic filling, viscoelastic interfaces, surfactants, mass transfer, and capillary flows in consequential geometries.

03

Experimental and production evidence

High-speed imaging, automated measurements, and process data that reveal missing physics and operating variation.

04

Probabilistic learning and Bayesian optimization

Uncertainty-aware surrogates and gated optimization when simulations and experiments are expensive.

Selected publications

Publications connected to data, source code, and reproducible evidence.

The complete record spans multiphase methods, microfluidic experiments, scalable CFD + ML, and research infrastructure—with direct links to the supporting research outputs wherever they are publicly available.

2026Journal

A residual-based non-orthogonality correction for force-balanced unstructured volume-of-fluid methods

A deterministic residual-based non-orthogonality correction restores surface-tension and gravity force balance near linear-solver tolerance on polyhedral meshes.

2025Journal

Combining machine learning with computational fluid dynamics using OpenFOAM and SmartSim

A scalable, in-memory coupling enables online training and inference between parallel OpenFOAM simulations and machine-learning models.

2025Journal

Experimental and numerical study of microcavity filling regimes for Lab-on-a-Chip applications

High-speed experiments and three-dimensional geometric-VOF simulations identify distinct microcavity-filling regimes and the conditions controlling gas entrapment.

Explore all publications

Teaching

Mathematics, numerical methods, and scientific computing.

Courses and open materials connect mathematical foundations with reproducible engineering practice—from Mathematics II to Machine Learning in Fluid Mechanics and OpenFOAM–ML hackathons.

Teaching & supervision →

Computational practice

Research software and agentic workflows as shared infrastructure.

OpenFOAM Data-Driven Modelling, LEIA/LENT, DeboRheo, SFB 1194, NFDI4Ing, and current agentic workflows connect methods, people, and reusable evidence. Agents help develop, test, document, and audit; verification and human judgment decide what is accepted.

Explore the workflow →

A hard thermofluid problem?

Let’s improve the system—with quantified uncertainty.

Start a conversation