People

Principal Investigator

Dr. Kristin A. Persson
kapersson@lbl.gov

Kristin enjoys orchestrating in-silico adventures in materials science. She also has a demonstrated aptitude for tree-climbing.

Postdoctoral Fellows

Dr. Miao Liu
miaoliu@lbl.gov

Miao accelerates the discovery of new energy-storage materials using high-throughput first-principles calculations. His interest also extends to low-dimensional nanostructures.

Dr. Nav Nidhi Rajput
nnrajput@lbl.gov

Nidhi studies solvation structure and dynamics of electrolytes. She insists that if you’re not part of the solution, you’re part of the precipitate.

Dr. Xiaohui Qu
xqu@lbl.gov

Xiaohui works on high-throughput screening and design of novel electrolyte compounds. He wears phenomenal vests.

Dr. Yongwoo Shin
yshin@lbl.gov

Yongwoo’s research seeks to elucidate structure-property relationships of novel energy materials.

Dr. Joseph Montoya
jhmontoya@lbl.gov

A chemical engineer by training, Joey hopes to be a catalyst that accelerates development of fuel cell and electrolytic technologies by adding surface science to MP’s high-throughput infrastructure.

Dr. Muratahan Aykol
maykol@lbl.gov

Murat works at the intersection of computational materials science, informatics and infrastructure to provide new insights into designing better materials. He enjoys generating large material datasets as much as mining them to discover materials for a range of applications from batteries to corrosion protection.

Dr. Shyam Dwaraknath
shyamd@lbl.gov

Shyam is a nuclear engineer attempting to activate close collaborations between computational and experimental material science. Hopefully his efforts have a long decay constant.

Dr. Kiran Mathew
kmathew@lbl.gov

Kiran develops methods for the study of solid/liquid interfaces (see VASPsol) as well as for high-throughput analysis of a variety of interfacial structures (nanoparticles/ligands, heterostructure interfaces). As part of the Electrolyte Genome project, he’s developing a high-throughput framework for the discovery of novel electrolytes.

Arunima Singh
arunimasingh@lbl.gov

Arunima studies surfaces and interfaces of nanomaterials for nanoelectronic and solar-energy conversion applications.

Matthew Horton
mkhorton@lbl.gov

Matthew is attracted to the idea of studying magnets, and thinks refrigeration is pretty cool, so it’s only natural he’d find himself working on magnetocalorics. His interests include high-throughput materials discovery and finding new ways technology can help improve science education.

Trevor Seguin
tjseguin@lbl.gov

Graduate Students

Brandon Wood
bwood@lbl.gov

Brandon aspires to follow in the footsteps of world-renowned battery detective Sherlock Ohms, and as a result he is studying solid state electrolyte dynamics.

Julian Self
jself@lbl.gov

Electrolyte whisperer.

Rebecca Stern
rstern@lbl.gov

Rebecca investigates the stability of inorganic metal clusters under various aqueous environments for the production of functional thin-films. She believes that you should seas the day by going to the beach, not by seizing her starfish-decorated coffee mug.

Rachel Woods-Robinson
rwoodsrobinson@lbl.gov

Rachel is a joint PhD student at NREL studying high-throughput computation, synthesis, and characterization of electrode materials for solar energy and optoelectronic applications. She is the co-founder of Cycle for Science, aka an excuse to go on crazy pedal-powered adventures, blab about renewable energy, and eat lots of ice cream (as fuel, of course).

Tingzheng Hou
thou@lbl.gov

Tingzheng got his Bachelor’s and Master’s from Tsinghua University. He seeks to understand the interface interactions between electrodes and electrolytes in high-energy battery systems.

Staff

Dr. Patrick Huck
phuck@lbl.gov

Trained as a high-energy nuclear physicist, Patrick now uses his collaborative and dissecting skills to bring exciting new science into the MP and improve its infrastructure. He is a passionate coder with a knack for challenges who can’t help but admire squirrels for their bustling activity and apparent optimism.

Dr. Donny Winston
dwinston@lbl.gov

Donny studied scanning-charged-particle-beam lithography before shifting professional focus to software-as-a-service. He uses hyphens extensively.

Undergraduate Students

David Mrdjenovich
dmrdjenovich@lbl.gov
Katie Latimer
klatimer@lbl.gov

Katie is a junior at UC Berkeley studying physics and chemistry. When she grows up, she wants to save the world.

Visiting Researchers

John Dagdelen
jdagdelen@lbl.gov

John joined the Persson group shortly before earning his undergraduate degree in Materials Science from UC Berkeley in 2016. As an expert bounty-hunter, he works on finding materials with unusual mechanical properties through computational screening methodologies.

Alumni

Dr. Hong (Kevin) Ding
hding@lbl.gov

Kevin seeks to understand the thermodynamic, kinetic, and mechanical properties of a wide range of technologically important materials via computation. For leisure, he reads (mostly about density functional theory), cooks, and travels. He is now a top industrial user of the Materials Project.

Dr. Wei Chen
weichen@lbl.gov

Wei can see through the crystal ball of big data to tell the fortune of materials. He joined the faculty of the Illinois Institute of Technology.

Dr. Anubhav Jain
ajain@lbl.gov

Anubhav is a materials hacker, working on high-throughput computational design of new materials in applications such as Li-ion batteries, multivalent batteries, and thermoelectrics. He is a staff scientist at LBL, and a PI on the Materials Project.

Miriam Brafman
mbrafman@lbl.gov
Dr. Eunseok Lee
eunseok.lee@uah.edu

Eunsook joined the faculty of the University of Alabama in Huntsville.

Dr. Michael Kocher
michael.kocher@me.com

Michael is having a blast in industry.

Dr. Altaf Karim
altaf.karim@comsats.edu.pk

Altaf joined the faculty of COMSATS Institute of Information Technology in Pakistan.