We are a materials chemistry group studying novel synthesis routes under extreme compression. We use cutting-edge techniques to subject samples to pressures on the order of millions of atmospheres, allowing us to access exotic states of matter and synthesize previously undiscovered solid-state compounds. We also use first-principles calculations to explore high-pressure phase space in silico, and to study the bulk properties of newly discovered phases.
High pressure represents a vastly unexplored phase space where novel compounds can be synthesized and recovered back to ambient conditions. We use experimental high-pressure synthesis techniques to discover completely new solid-state compounds that could underpin future advances in technology.
Modern first-principles methods can be used to accurately calculate the formation enthalpy of any given structure. We use random structure searching tools to perform high-throughput DFT calculations in search of undiscovered high-pressure phases. We also use machine learning methods to investigate how pressure can influence chemical disorder in the solid state.
Shockwaves subject materials to very high pressures over extremely short timescales, potentially offering a route toward the kinetic control of solid-state transformations. We use cutting-edge in situ X-ray diffraction methods to examine phase transformations under dynamic compression.
Systems that exhibit magnetic frustration are a direct route to exotic new states of matter dominated by quantum fluctuations. Control over these delicate quantum states is an outstanding challenge in chemistry and physics. We are using high pressures to target novel quantum phases in geometrically frustrated systems.
First-principles investigation of phase stability in substoichiometric zirconium carbide under high pressure
Thiel, S. D.; Walsh, J. P. S.
Adv. Theory Simul., 2022, 5, 2200439.
X-ray diffraction methods for high-pressure solid-state synthesis
Thiel, S. D.; Tamerius, A. D.; Walsh, J. P. S.
Compr. Inorg. Chem. III, 2022. (In press)
High-pressure synthesis of bulk cobalt cementite, Co3C
Marshall, P. V.; Alptekin, Z.; Thiel, S. D.; Smith, D.; Meng, Y.; Walsh, J. P. S.
Chem. Mater., 2021, 33, 9601–9607.
Liz Cote, Scott Thiel, and Paul Marshall carried out some high-pressure synthesis reactions on the large volume press at beamline 28-ID-2 at the NSLS-II. Thank you to Matt Whitaker for being a fantastic host!
2022-03-24Kim will be spending the summer as a High Energy Density Science Center (HEDS) Grad Student at Lawrence Livermore National Laboratory. She will participate in experiments across Omega, MEC, JLF, and DiPOLE.
2022-02-28The DOE Science Undergraduate Laboratory Internships (SULI) program will support Zeynep for a summer internship at Lawrence Livermore National Laboratory, where she will help to prepare and study a new class of thermal barrier coatings.
2022-02-23Nick Manganaro and Scott Ambos spent four days collecting high-pressure synchrotron Mössbauer at Sector 3 of the APS. Thank you to Barbara Lavina and Ercan Alp for helping us collect some great data!
2022-02-18We are excited to welcome Liz Cote to the Walsh Lab! Liz joins us from the University of New Haven, where she worked with the group of Prof. Dequan Xiao on the design of molecular catalysts for polymer degradations.
2022-12-19The Walsh Lab has been awarded an NSF CAREER grant to fund our work on the development of novel methods for high-pressure synthesis! We are very grateful to the Division of Materials Research for their support.
2022-12-07Kim was the recipient of not one but two chemistry graduate fellowships awarded through the department. She received both the Donald Kuhn Graduate Fellowship Award and the PPG Fellowship. Congratulations, Kim!
2022-11-26Paul Marshall and Scott Thiel set sail for Long Island to perform large volume press synthesis experiments at beamline 28-ID-2 of the NSLS-II. Here is a photograph of the Lab's first Kawai assembly. Thank you to Matt Whitaker for making the experiments a success!
2022-11-08Nick Manganaro and Scott Ambos visited the Partnership for Extreme Crystallography beamline at the Advanced Photon Source in Chicago to perform high-pressure X-ray crystallography experiments. Thank you to Dongzhou Zhang and Phuong Nguyen for training and assistance!
2022-10-07Kim won a first-place award for her poster presentation at the UMass Chemistry Department's ResearchFest 2022. Here she is receiving her award certificate from department head Rick Metz.
2022-08-30Scott's paper reporting on the use of cluster expansion to study the effect of pressure on vacancies in zirconium carbide has been published in Advanced Theory and Simulations. Nice work, Scott!
2022-08-19Kim won an award for her poster presentation of her shockwave work at the 2022 Research at High Pressure GRC. Her prize was a copy of Sergei Stishov's book The ABCs of High Pressure.
2022-07-21Wyatt was awarded the Roger G. Bates Fund to support his research in our lab over the summer. He will continue his work on the high-pressure synthesis of novel carbides.
2022-04-28Zeynep was awarded the 2021–2022 UMass Rising Researcher Award for her outstanding achievements in research! Read more about her award here.
2022-04-13Zeynep was awarded the Uche Anyanwu Memorial Award for her poster presentation at the Chemistry Undergraduate Poster Session. She presented her work on the high-pressure synthesis of cobalt cementite.
2022-04-08Zeynep was awarded the prestigious Barry Goldwater Scholarship—one of only three students from UMass to receive the honor! Read more about her award here.
2022-04-04
