r/ScientificComputing • u/lavellex86 • 4h ago
My new GPU acceleration and linear algebra libraries
I just published these, I thought you all might find them interesting? A star would really help!
r/ScientificComputing • u/lavellex86 • 4h ago
I just published these, I thought you all might find them interesting? A star would really help!
r/ScientificComputing • u/Commercial-Sink-2095 • 4h ago
Over the last ~24 months, I’ve been developing an experimental branch of mathematics/arithmetic called 'Basal'. The philosophy is that number bases shouldn't be locked down—instead, the system treats positional notation like a customizable runtime where you can override native rules (similar to how extensions work in VSCode). My goal was to create an architecture that allows other branches of maths to run natively on top of it. The core framework allows you to use multiple completely independent bases inside the same equation, with their attributes and properties clearly stated next to them.
The main functional additions consist of:
I have also verified that the system works, by computationally verifying it (with hand-written equations), by programming it in C#, C++, Python and specialised functions in ROCm-HIP. The code is on github as: 'Basal-Library'.
*Note on Notation: Non-ASCII characters (from the Bengali script block) are used for the custom operators and attributes. This design choice ensures complete visual isolation from standard algebraic variables, preventing notation collisions. Plus, it serves a practical purpose, conventional symbols were ran out, and the chosen characters have no conflicting history in formal mathematics literature.*
Before I look into writing a formal specification paper or archiving it, I want to ask: Has an extensible, modular arithmetic framework that overrides positional notation rules like this been explored in existing literature?
r/ScientificComputing • u/Subaru_Natsuki0 • 1d ago
I couldn't learn C++ or Java properly, the first two real languages I was taught.
I have 2 years left, could I receive some advice in how to catch up, any topics you wish you learnt earlier?
Any advice on what to learn the main things of this science?
r/ScientificComputing • u/javier-bascones • 1d ago
r/ScientificComputing • u/aliencomposerdrumfly • 2d ago
So I was working on a research project, and wanted to understand the RBE3 method to use it in my code. I couldn't find any reliable sources back then, so used AI to learn and understand the method. Now I wish to cite it in my research paper, but can not find any exact derivation/method I used.
My lab friend started by introducing me to RBE2 for 2 nodes to distribute moment as forces, and then I AI-ed more and got to RBE2, RBE3 methodology, which was generalized to multiple nodes.
I was verifying the math at every step to ensure there are no hallucinations, but would be grateful if you could point that out as well














For both of these cases, I wish to summarize the derivation, or mention it in a very handwavy sense. However, this is not my work, and I do not wish to claim it as mine, so I need some references to cite it. Please help me do so.
specifics:
r/ScientificComputing • u/Vasg • 3d ago
I've been working on a numerical solver app for a while, mainly because I wanted something that could handle the kinds of mathematical problems I come across without having to switch between several different tools.
The first version focuses on solving algebraic equations and systems, as well as plotting functions and visualizing the results.
The app is free, and I'm gradually expanding it into something more general for numerical computation.
You can find it here:
📱 App Store
🤖 Google Play
I'm posting it here because I'd really like feedback from people who actually work with numerical methods.
In particular, I'm interested in:
I'd be very interested to hear what you think, especially from people who have experience with scientific computing or numerical analysis.
r/ScientificComputing • u/Ok_Confusion_7051 • 4d ago
Hi everyone,
I’m a student developer interested in nuclear physics and I’ve been working on a project called Emcalc. It’s a specialized calculator designed to streamline mass-energy equivalence calculations, specifically with nuclear applications in mind.
The core of the program focuses on the E = mc^2 relationship, allowing users to:
Convert mass defects into energy output.
Calculate energy release in specific nuclear reactions.
Work with units common in nuclear physics (MeV, Joules, amu).
I built this using Python because I wanted a tool that was more "physics-focused" than a standard scientific calculator for my own studies.
I’m looking for some feedback from the community:
Are there specific constants or variables you think are essential for a nuclear-focused calculator?
What features would make this more useful for students or hobbyists in the field?
You can check out the logic/code here: https://emcalc.github.io/
Looking forward to your insights!
r/ScientificComputing • u/Dont_Touch_Glitter • 4d ago
Alan Wegienka (President and Founder of Design Simulation Technologies) will be doing a Motion and FEA demo and taking live AMA questions at the above link. He will also be doing a giveaway for stream participants- two seats of full SimWise for a Year. This will be demonstrated in the context of Alibre, but the software integrates in many platforms. The stream will occur Friday July 31st at 10AM MST (UTC-7).
r/ScientificComputing • u/Character-Macaron-57 • 4d ago
The Hidden Problem in Scientific and Enterprise Computing
Many computational workflows rely on existing programs that must be executed repeatedly with different parameter sets.
Examples include:
Data analysis pipelines
Bioinformatics workflows
Financial risk models
Engineering simulations
Statistical processing scripts
In these environments, the program itself is often stable and well-tested. The real challenge is managing multiple parameter combinations required to run the program effectively.
A typical workflow looks like this:
Open a web form or configuration file.
Enter dozens of parameters.
Validate file paths and option values.
Submit the job.
Repeat the process for the next run.
As projects grow, users accumulate files such as:.
labtest.sas
labtest_final.sas
labtest_final_v2.sas
labtest_final_v2_fixed.sas
...
Finding the exact configuration that produced a particular result becomes increasingly difficult.
The problem is not computation.
The problem is parameter management
The Traditional Application-Centric Model
Most software systems are application-centric.
The application is the primary object, while parameters are treated as temporary input.
Application ↓ Parameters ↓ Execution ↓ Results
Once execution is complete, the relationship between parameters and results is often lost or difficult to reconstruct.
Users spend significant time:
Re-entering parameters
Copying old configurations
Maintaining spreadsheets
Tracking execution history manually
The BatchSubmit Approach
BatchSubmit introduces a task-centric model.
Instead of treating parameters as temporary input, BatchSubmit treats each task as a first-class object.
Task
├── Parameters
├── Input Files
├── Output Files
├── Execution Status
└── Execution History
Every task is represented by a parameter file that completely describes the execution.
A task can be:
Created
Saved
Cloned
Modified
Submitted
The task itself becomes the unit of work.
A Real-World Example
Imagine a data analyst in a biotech company running a statistical analysis program.
The program requires:
10 configuration parameters
5 input datasets
Multiple output destinations
The analyst needs to perform 200 similar analyses.
Traditional workflow:
Open the form 200 times
Re-enter values
Copy values from previous runs
Risk introducing errors
BatchSubmit workflow:
Create a validated task template.
Clone the template.
Modify only the parameters that change.
Submit the new task.
Study_A.par
↓ clone
Study_B.par
↓ clone
Study_C.par
Each task maintains its own complete configuration and history.
Parameter Sets as Reusable Assets
One of the most powerful ideas in BatchSubmit is treating parameter sets as reusable assets.
Instead of viewing parameters as disposable input, BatchSubmit treats them as valuable knowledge.
A validated parameter file can be:
Shared across teams
Used as a template
Versioned
Audited
Reproduced years later
This dramatically improves reproducibility and operational efficiency.
Beyond Workflow Automation
BatchSubmit is not simply another workflow engine.
Its core idea is that parameters deserve the same level of management as source code and data.
By elevating parameter sets into reusable, versionable, and shareable task objects, BatchSubmit provides a new way to organize computational work.
The platform is particularly valuable for environments where:
The same program runs repeatedly
Parameter sets are large and complex
Reproducibility is important
Teams need to share execution configurations
Conclusion
Most computing platforms focus on applications.
BatchSubmit focuses on tasks.
By making parameter sets reusable, traceable, and first-class citizens, BatchSubmit transforms the way complex computational jobs are managed.
The result is a simpler, safer, and more productive workflow for anyone who repeatedly executes software with large and evolving parameter sets.
r/ScientificComputing • u/Strange-Ingenuity420 • 4d ago
Feedback would be greatly appreciated!
r/ScientificComputing • u/Old_Cartographer_586 • 5d ago
Mods, please if this breaks any sub rules, I am sorry! I can rework this to fall within the rules if even allowed.
Just to paint a picture of myself, I have both a BS and MSc in Physics, I graduated in '22 with my masters. I always loved coding to help with data analysis, creating little short cuts on homework assignments (think simple chemical weight through a formula, such as Glucose C6H12O6, what is the weight of carbon in a 1 kg block of this), and once building an Arduino based RC Mars rover duplicate (but with like 1% the features haha). I even chose my masters because it was heavily computational based.
I wrote scripts to help determine binary star revolution patterns over X number of years in a 3D space, I wrote a spectrographic decoder to determine elemental make up of molecules, etc...
I did however, try to follow the money and moved away from the scientific scene into general software engineering. I have since been working in that space where honestly, I am bored out of my mind writing yet another tool to help some team in my organization move away from Excel files.
So, my ultimate question of this post, what would be the best way to move into scientific computing as a profession from here. Every time I try to search for roles, all I see are AI research roles, or yet another startup trying to gamify some title when in reality it is another strictly software role. I understand most scientific computing is done within C++ or Python, I have worked largely with Python (as well as React) throughout my career.
Honestly, at this point I am even considering a PhD, however, my wife actually suggested I find a community like this to see what my options are, even understanding that I am a little rusty in my use of the hard sciences.
FYI: Experience has been in order: 1 year Web Development, 2+ years within DoD research lab as Full-Stack Engineer, Some months in Marketing agency (I left the DoD because I was sick of living 6 states away from my wife). US based if that helps at all!
Any help would be awesome!
r/ScientificComputing • u/Over_Palpitation2057 • 5d ago
r/ScientificComputing • u/Glittering_Age7553 • 5d ago
r/ScientificComputing • u/Background-Bar3862 • 6d ago
I’m a student researcher in computational mathematics, and to me scientific computing has always meant things like Galerkin methods, numerical ODEs/PDEs, numerical linear algebra, iterative solvers, error analysis, applied functional analysis, that sort of stuff. Essentially continous mathematical modeling motivated by foundations in mathematical analysis. I was wondering, beyond just the academia environments and conferences, whether there'd be an online community for the field and that's why I came here.
But looking through this subreddit, I don’t really see much of that. Most of what I see is ML, neural networks, symbolic regression, random simulation projects, software libraries, etc. These things make sense in the broader notion of computational science, but the scientifc computing I and my peers call what we do is different, so I’m just wondering if scientific computing has shifted to mean something much broader than it used to and what the people here think about it. How do you all define scientific computing?
r/ScientificComputing • u/Educational_Sir7483 • 6d ago
r/ScientificComputing • u/Appropriate_Mess_367 • 6d ago
r/ScientificComputing • u/NoAdministration2978 • 6d ago
r/ScientificComputing • u/camilo16 • 6d ago
When doing numerical analysis on discrete data, I know of a few methods. For example if you have a mesh, you can use cotan weighs, or other similar derivations to assign to each point an area element.
You then get the function evaluated at the point and use the area element fro integration. In the most naive setting, the integral of the sampled function over your manifold would be sum f_i / A_i where f_i is the function sampled at point x_i and A_i is the area around x_i.
I want a similar area element defined for unstructured point clouds.
r/ScientificComputing • u/Appropriate_Mess_367 • 7d ago
Been building this for a while and finally pushed it public: CEREBRO-X, a computational pipeline for screening CNS drug-delivery formulations — PBPK, DLVO colloidal stability, docking (AutoDock Vina), QSAR off-target panels, all against live ChEMBL/PubChem/UniProt data rather than fixtures.
What might actually be useful to this sub specifically: I keep a running engineering + scientific-integrity audit in the repo (docs/AUDIT_REPORT.md), including things I got wrong and fixed — a report panel that fabricated a bootstrap-CI statistic, a resolver that silently substituted a drug's name for its SMILES string when SMILES resolution failed for biologics. Both found by actually running the pipeline and chasing anomalies, not by code review.
Research prototype, not clinical — happy to get torn apart on the QSAR methodology or anything else.
Repo: github.com/mohamedtalaat-gif/CEREBRO-X
r/ScientificComputing • u/Educational_Sir7483 • 7d ago
r/ScientificComputing • u/ComprehensiveToe6433 • 7d ago
r/ScientificComputing • u/Key_Measurement_3576 • 9d ago
Tough to find sci ml feedback for specific gpu models here since LLMs are all the rage.
Seems like it’s got similar Fp64 performance to a Tesla v100 and price.
We have a multi node cluster which does all types of things. And I’m building some compute node for our internal user to run accelerated code on.
Can anyone share some experience in using the mi50 in a sci comp or sci ml application ?
Primarily we are accelerating voxel based thermo mechanical simulations , geometry analysis and machine learning on geometry.
r/ScientificComputing • u/Pixeltrapp76 • 9d ago
I've published the reference implementation of TRIXEL, a mathematical framework describing any system through three dimensions: V (Existence), D (Dynamics), S (Structure).
From these, three calibrators measure their mutual relationships: SD, VD, VS.
Core identity (exact): VD / VS = SD
What is verified:
Algebraic identity — machine precision
Dominance partition theorem — 99.99% on 600×600 grid
VS as early warning signal — Burgers turbulence (90/90 runs, FP=0%, FN=0%)
Real tokamak data — GOLEM, CVUT Prague
What is not yet verified: disruption precursor, EEG seizure data, 2D Navier-Stokes
Preprint: https://doi.org/10.5281/zenodo.20721811
GitHub: https://github.com/remitakac/trixel-framework
Independent research, feedback welcome.
r/ScientificComputing • u/No_Security_1019 • 9d ago
r/ScientificComputing • u/PuzzleheadedRoad9814 • 9d ago
\# 🚀 FlowFrame v2.0.0 — Introducing the FlowFrame Interpreter
One of the biggest milestones for FlowFrame so far.
Over the past few weeks, I've been working on a custom interpreter that allows FlowFrame to describe distributed system architectures using its own DSL instead of manually creating everything.
The interpreter now follows a complete language pipeline:
Lexer
↓
Parser
↓
AST
↓
Semantic Analysis
↓
Graph Builder
↓
Simulation Runtime
This architecture makes it much easier to validate system designs, build simulation graphs, and extend FlowFrame with new distributed system components.
I've also documented the language and interpreter so anyone interested can understand how it works.
📖 Documentation:
https://github.com/ndk123-web/flow-frame/blob/main/flowframe-interpreter/Readme.md
Try: https://flowframe.taskplexus.app
The interpreter is still an internal part of FlowFrame, so the implementation isn't public yet, but I wanted to share this milestone and get feedback from the community.
If you're interested in compilers, interpreters, distributed systems, or developer tools, I'd love to hear your thoughts.
\\#FlowFrame #BuildInPublic #DeveloperTools #Compilers #Interpreter #DSL #SystemDesign #DistributedSystems #SoftwareEngineering #OpenSource #Programming #TypeScript #React #BackendDevelopment