Computational Design of Inorganic Materials Lab

our group

Laura de Sousa Oliveira

Principal Investigator

Laura is interested in using computational strategies towards an atomistic understanding of nano- and bulk-scale phenomena, as well as designing (in)organic materials.

Wabi Demeke

Distinguished Postdoctoral Fellow for AI-Enabled Interdisciplinary Research

Wabi holds a Ph.D. in Mechanical Engineering from Korea Advanced Institute of Science & Technology (KAIST). His core expertise lies in Scientific Machine Learning (SciML), specifically applying ML to interdisciplinary research areas such as energy harvesting application. Currently, as a Postdoctoral Research Fellow, his work focuses on leveraging ML and computational modeling techniques to accelerate novel materials discovery.

Muhamed Duhandžić

Postdoctoral Researcher

Muhamed Duhandzic obtained his BSc and MSc in Physics from the University of Sarajevo, Bosnia and Herzegovina, and his PhD in Materials Science from the University of Utah. His research interests include polaron hopping and electron–phonon coupling in metal–organic frameworks (MOFs). He gave up playing the guitar in a band, but is therefore bad at sports. Sometimes, in rare occasions, he might play table tennis, chess, or snooker with you.

Masoumeh Gahrouei

PhD Candidate

Masoumeh is hoping to use computational strategies to predict property-structure relationships of materials. Her hobbies include playing basketball, watching soccer and volleyball, watching movies, going out with friends and listening to music.

Oreoluwa Adesina

PhD Candidate

Ore is interested in using and developing computational methods to study chemical systems at the atomic scale. Hobbies include watching K-Dramas, listening to music, especially K-Pop, and online shopping.



Ali Jalali

PhD Student

Ali is a Chemistry PhD student with a background in Chemical Engineering and the unique experience of studying in four countries: the US, Italy, Latvia, and Iran. His research focuses on exploring the properties of advanced materials for thermoelectric applications at the atomic scale using computational methods. Beyond academics, Ali enjoys hiking and listening to audiobooks.

Omor Farque

PhD Student

Omor has research expertise in molecular dynamics and nano-catalysts. He is interested in applying computational chemistry to investigate atomic-scale interactions—electron, phonon, and bonding—to design advanced materials and understand fundamental nuclear chemistry. Outside the lab, Omor recharges by exploring nature and playing table tennis.

Alison Jensen

Masters Student
Alison is pursuing a Masters in mechanical engineering. She is currently researching materials for nuclear energy applications. She enjoys math, weightlifting, reading, and cooking in her free time.


Nikiphoros Vlastos

UW Research Scholar

Nikiphoros (Niki) is interested in using computation strategies to better understand and predict materials properties at an atomistic level. Outside of his research he enjoys backpacking, hiking, playing the piano and writing/reading poetry.


Duckie

Debugging Guru

Duckie is an excellent listener, always ready to help the group with debugging.

On its free time, Duckie enjoys splashing and squeaking.

[Education]

alumni

Alathea Davies

PhD (Fall 2020–Summer 2025)

Original: Ali (short for Alathea) is hoping to use computational strategies to study the fundamental interactions of chemical systems. Outside of school, her hobbies are rock climbing, playing piano, reading Tolkien, and growing herbs and wildflowers.

2025 update: Ali is starting a research scientist position with the School of Computing at UWyo.

Alison Jensen

UW Research Scholar
(Fall 2022-Spring 2025)

Alison is an undergraduate mechanical engineering major and math minor who wants to pursue a PhD in the future. She is currently researching materials for nuclear energy applications. She enjoys math, weightlifting, reading, and cooking in her free time.


Isabella Valdez

Undergraduate Researcher
(Fall 2024–Spring 2025)

Isabella is a chemistry and Spanish linguistics major interested in learning about computational chemistry. She has't chosen a career path but is interested in learning many things. Her hobbies are reading, embroidery, baking, and being with friends and family.

Amber Lock

REU Student (Summer 2024)

Amber is a Biomedical/Computer Engineering major interested in applications of programming and electronics in chemistry and biomedical engineering. She plans to pursue a future in research and enjoys playing tournament chess, fencing, and music.

Taylor Kelsey

Undergraduate Researcher
(Spring 2023 –Fall 2024)

Kelsey is a chemistry major interested in computational chemistry. She hasn't chosen a career path but is excited to try out as much as possible. Her hobbies are reading, running, and trying new things.


Emmanuel Odogwu

Undergraduate Researcher
(Fall 2022–Fall 2024)

Emmanuel is an undergraduate chemistry major who wants to pursue a research career and is interested in seeing what is possible in the area of computational chemistry. Hobbies include running, weightlifting, and reading.

Lane Snively

Intern (Summer 2023)

Lane is interested in software development and cloud computing. He is working on the generation of hypothetical COFs/MOFs and the implementation of ML algorithms for high–throughput materials discovery. In his free time, Lane enjoys skateboarding, making pottery, and road trips.

Andres Lee

REU Student (Summer 2023)

Lee is interested in learning more about physics and chemistry through computational methods for future research. He is currently investigating Si–Ge heterojunctions using classical MD. His hobbies are working out, martial arts, studying topics that challenge him, listening to music, and taking naps.

Lander Stone

UW Research Scholar
(Spring 2022–Spring 2023)

Lander is interested to advance environmental science and investigate solutions to climate hazards, such as water shortages. He is working on COF discovery for desalination applications. In his free time, Lander enjoys canoeing, snowboarding, and drumming.

Natalie Foss

Undergraduate Researcher
(Fall 2022–Spring 2023)

Natalie is a senior undergraduate computer science student who is passionate about making complex systems and methodologies accessible to anyone. Her hobbies include reading, photography, art, and more reading.


Matthew Coy

REU Student
(Summer 2022)

Matt is interested in using computational strategies to aid in materials research and design. He is using computational chemistry to model metal catalysts on an alumina substrate. In his free time Matt enjoys fishing, hunting, and playing guitar.

Adam Bratland

Undergraduate Researcher
(Spring 2022–Fall 2022)

Adam is working on polymers of intrinsic microporosity for post-combustion carbon capture. He is interested in the individual monomers' effect on the polymers. Hobbies include snowboarding, skateboarding, hikes, and fishing.

Simon Beer

Undergraduate Researcher
(Spring 2021–Fall 2022)

Simon is hoping to use computational strategies to learn more about artificial intelligence and how that can be used to better society. For fun, Simon likes to play video games, stream on Twitch, watch soccer, and code mini projects.

Bethena Balanon

Talaria by Athena student
(Summer 2021)

Bethena is a college freshman from the Philippines, interested in the application of computational strategies to study compounds for environmental sustainability. During her free time she likes reading fiction, watching Korean dramas, baking pastries, and having fun with her friends.

Quincy Reynolds

REU Student
(Summer 2021)

Quincy Reynolds hopes to use computational chemistry as a new way to look at and study chemistry. Hobbies include rodeo, hanging out with friends, playing video games, and finding new music.