NSF Graduate Research FellowM.S. Chemistry · CSUNOak Ridge National Lab

Hi, I’m Samantha!

I’m a computational materials chemist. I squeeze atoms (on a computer!) to watch chemical bonds rewrite their own rules, from iron at Earth’s core to core electrons that start bonding, and I train machine learning to speed up the hunt for new superhydrides.

Currently: M.S. research with Prof. Maosheng Miao at CSUN, and a Research Student Internship at Oak Ridge National Laboratory with Eva Zarkadoula and Jingsong Huang.

FUN FACT 1 / 5

Squeeze iron to Earth’s-core pressures and it flips from electron donor to electron acceptor, pulling electrons away from elements like silicon and sulfur!

(click the atom for another fact)
MY RESEARCH · INTERACTIVE

Squeeze the atoms!

Drag the slider from 0 GPa (everyday pressure) up to the millions of atmospheres where even hydrogen changes character. Each stop is one of my projects.

FFFSF₃FFFSMoSvacancyMoS₂ / WS₂ monolayer · side view≈ 0 GPa · fluorine plucking sulfur off the surface
Oak Ridge National Lab · 2026

Etching 2D materials, one atomic layer at a time

At everyday pressure, I study how fluorine chews through MoS₂ and WS₂ monolayers during gas-assisted etching. I map reaction pathways with AIMD and MLFF-AIMD, then fine-tune a machine-learned interatomic potential on them, so we can simulate etching over nanoseconds and nanometers instead of picoseconds.

AIMDMLFF-AIMDMLIP fine-tuningreaction pathways
PEER-REVIEWED PAPERS · CLICK A CARD TO READ

Publications

Everything on Google Scholar ↗

Psst: earlier work may be listed under Samantha Scott.

TALKS & POSTERS · SLIDES AND POSTERS OPEN AS PDFs

Presentations

TEACHING · MENTORING · SERVICE

Your path can be nonlinear and still lead somewhere meaningful.

As a first-generation college student, I know how much a good mentor matters. I try to be that for others: I challenge students to grow, help them work through uncertainty, and remind them they don’t need everything figured out.

TA
Teaching AssistantGeneral & Organic Chemistry Labs · CSUN

I taught six laboratory sections across general and organic chemistry, combining pre-lab instruction with hands-on guidance in quantitative analysis, spectroscopy, scientific documentation, and lab safety.

Pm
Graduate Peer MentorOffice of Undergraduate Research · CSUN

I led workshops and individual advising for students joining research groups, preparing conference materials, applying to graduate programs, and developing CVs and personal statements. I also supported campus outreach events connecting prospective and high-school students with research opportunities.

Jc
Journal Club co-founderChemistry & Biochemistry Journal Club · CSUN

A monthly, student-led forum for reading current chemical literature: a low-pressure place to practice presenting papers, ask technical questions, and trade feedback.

WHAT MY STUDENTS SAID (ANONYMOUSLY!)

“Explains concepts in an efficient but also easy to understand way.”

General Chemistry II Lab student

“Sammie was very kind and patient and really easy to talk to throughout the semester.”

General Chemistry II Lab student

“She does want us to figure out things before we go to her, which I appreciate.”

Organic Chemistry I Lab student
Members of the CSUN Chemistry and Biochemistry Journal Club after a meeting
Journal Club meetup
Samantha Ellis presenting deep-Earth chemistry at a CSUN student research showcase
Deep-Earth chemistry at a student research showcase (MSA × SACNAS)
Samantha Ellis leading a curriculum vitae workshop for CSUN students
Leading a CV workshop for the Chem & Biochem Club
Samantha Ellis with members of the CSUN Chemistry and Biochemistry Club at a Pi Day event
Women in Science Pi Day booth
CSUN Chemistry and Biochemistry Journal Club members at a materials chemistry discussion
Materials chemistry night at Journal Club
Samantha Ellis holding her dog
me + my favorite lab buddy