Open to work · Cluj-Napoca

Hi, I'm Bogdan.

A computational chemist. I model molecules with DFT and write Python scripts that make the work fast.

Get in touch See my research
Bogdan Andrei Stoian

I came for chemistry and stayed for the computer side of it.

I enjoy problems where a careful calculation can answer a question before anyone spends weeks in the lab, and explaining the answer clearly to people who weren't there.

Open to work

MSc Chemistry at Babeș-Bolyai University

Full-time, part-time or internship

Based in

Cluj-Napoca, Romania

On-site, hybrid or remote

Research · computational chemistry

I design ligands that could help carry gold to a tumour.

Gold nanostructures are being explored as carriers for gold in cancer-therapy research, and they need ligands on their surface that hold on firmly.

In my Master's research I study mono- and bis(phosphaalkenyl)tetrylenes: ligands built around a low-valent group 14 atom (E = Si, Ge or Sn), stabilised by a donor (D = an NHC or Et2O). With DFT I model how they bind to group 11, 10 and 8 metals, through phosphorus, through E, or both, before anyone makes them in the lab.

Drag the molecule, switch metals, and hover the colour key to highlight atoms.

Metal
Ligand
Simplified from DFT structures.
Drag to rotate.

E = Si, Ge, Sn (Ge shown) · D = NHC or Et2O (NHC shown)

How I work

Build the input

I model each structure by hand, then scripts swap elements (Si, Ge, Sn) to build batches. Every input is checked by hand.

Run DFT on the server

DFT in Gaussian on a remote Linux server, with structures checked in GaussView.

Extract the results

Python scripts pull energies and stability constants out of huge output files in seconds.

extract_energies.pysimplified example of the approach
import re

def final_scf_energy(path):
    # Gaussian prints a "SCF Done" line after every cycle;
    # the last one is the converged energy (in hartree).
    energy = None
    with open(path) as log:
        for line in log:
            m = re.search(r"SCF Done:\s+E\(\S+\)\s+=\s+(-?\d+\.\d+)", line)
            if m:
                energy = float(m.group(1))
    return energy

Experience

Research, study and volunteering

  1. Oct 2025 – now

    Master's Researcher, Computational Chemistry

    Babeș-Bolyai University, Cluj-Napoca

    • The project described under Research.
    • Oral talk in English at the international “Students for Students” conference, April 2026.
  2. Oct 2022 – now

    Volunteer, Organizația Studenților Chimiști (OSC)

    Chemistry students' organisation, UBB

    • Helped the coordinators run most of the organisation's projects and events.
    • Live chemistry demonstrations for children, high school students and the public.
  3. Oct 2022 – now

    Volunteer, Uniunea Studenților din România (USR)

    National student union

    • Volunteered at two editions of the Forum of Romanian Students Everywhere (now FTRP).
    • Trained in teamwork, leadership and project writing.
  4. 2022 – 2025

    BSc Chemistry

    Babeș-Bolyai University, Cluj-Napoca

Skills

What I work with

  • Density Functional Theory
  • Gaussian
  • GaussView
  • Quantum Chemistry
  • Nanotechnology
  • Coordination & Organometallic Chemistry
See my CV

Beyond the lab

I like to try almost everything once

Sport

Volleyball

My main sport, played at a level close to competitive teams. I love the pace of it and how much it depends on reading your teammates.

Craft

Crochet

Patient, repetitive and precise, a lot like setting up calculations. I enjoy turning a simple stitch pattern into something you can actually use or give away.

Chemistry, applied

Perfumes

Fragrance is chemistry you can smell. I like learning how scents are built from top, heart and base notes, and which molecules sit behind them.

Art

Drawing

Sketching and illustration in my free time. It trains the same eye for shape and proportion that helps when I look at molecules in 3D.

Art

Animation

Bringing drawings to life frame by frame. It takes patience and planning, and seeing the finished movement makes it worth it.

Tinkering

New tools

I like trying new apps and gadgets and building small things just to see how they work. This website started the same way.

Languages

Romanian
Native
English
Full professional
Japanese
Elementary

Let's talk

I'm open to roles in computational chemistry, R&D, nanotechnology, scientific data and automation: full-time, part-time or internship, on-site in Cluj-Napoca or Bucharest, hybrid or remote.

bogdanstoian2002@gmail.com
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