Smeu Group

2024-03-06: Prof. Smeu gives an invited presentation in the Helmholtz Institute Ulm: "Battery simulations with ab initio molecular dynamics." Thank you for the invitation, Dr. Maximilian Fichtner!

2023-12-18: Prof. Smeu is awarded a Humboldt Research Fellowship for Experienced Researchers to collaborate with Prof. Maximilian Fichtner at the Helmholtz Institute Ulm on a project titled: “Modeling anode-electrolyte interactions in calcium ion batteries with ab initio molecular dynamics”!

2023-12-14: Article titled: “A computational investigation of electron transport in defected Cu thin films,” by Kevin Batzinger has been published in Comput. Mat. Sci.!

2023-11-06: Article titled: "Modulation of Charge Transport through Single Molecules Induced by Solvent-Stabilized Intramolecular Charge Transfer," by Stuart Shepard has been published in J. Phys. Chem. B!

2023-10-06: Article titled: "Exploring Calcium Manganese Oxide as a Promising Cathode Material for Calcium-Ion Batteries," by Sihe Chen has been published in Chem. Mater.!

2023-09-22: Prof. Smeu gives an invited presentation in the Materials Genome Initiative Seminar Series at NIST: "Battery simulations with ab initio molecular dynamics." Thank you for the invitation, Drs. Michael Woodcox and Kathleen Schwarz!

2023-07-13: Article titled: "Reversible Electrochemical Anionic Redox in Rechargeable Multivalent-Ion Batteries," by Taylor Juran has been published in J. Am. Chem. Soc.!

2023-07-01: Prof. Smeu is awarded a Binghamton University Integrated Electronics Engineering Center (IEEC) Grant titled: "Modeling Current Flow through Copper with Surface-Deposited Metallic and Intermetallic Barrier Layers"!

2023-07-01: Prof. Smeu is awarded a Binghamton University Integrated Electronics Engineering Center (IEEC) Grant titled: "Modeling Thermal Properties for Novel Packaging Materials from First Principles "!

2023-06-13: Article titled: "Computational determination of the solvation structure of LiBF4 and LiPF6 salts in battery electrolytes," by Hashan Peiris, Scott Brennan, and Diana Liepinya has been published in Colloids Surf.!

2023-06-13: Article titled: "Modified Born method for modeling melting temperature using ab initio molecular dynamics," by Michael Woodcox and Joshua Young has been published in J. Phys.: Condens. Matter!

2023-06-12: Article titled: "Effect of a Ti layer on the growth of binder-free carbon nanotubes on Cu foil and their performance as lithium ion battery anodes," has been published in Energy Advances!

2022-03-01: Prof. Smeu is awarded an NSF grant (DMR-2225370) titled: "Collaborative Research: Tailoring Electron and Spin Transport in Single Molecule Junctions",  in a collaboration with Profs. Oliver Monti and Dominic McGrath (University of Arizona)!

2022-11-26: Article titled: “Electron passivation in CaF2 on calcium metal anodes ,” by Kevin Batzinger has been published in Phys. Chem. Chem. Phys.! Congratulations, Kevin on your first publication!

2022-10-03: Article titled: "Reaction Mechanism of Na-Ion Deintercalation in Na2CoSiO4," by Prof. Smeu and collaborators has been published in J. Phys. Chem. C!

2022-09-22: Article titled: "Investigating the role of structural water on the electrochemical properties of -V2O5 through density functional theory," by Kaveen Sandagiripathira and Mohammad Moghaddasi has been published in Phys. Chem. Chem. Phys.!

2022-10-04: Prof. Smeu gives an invited presentation in the Battery and Energy Storage session of the 2022 Northeast Regional Meeting: "Battery simulations with ab initio molecular dynamics." Thank you for the invitation, Dr. Hao Liu!

2022-06-10: Prof. Smeu is awarded a Binghamton University Integrated Electronics Engineering Center (IEEC) Grant titled: "Modeling Current Flow through Copper with Rough Surfaces and Voids"!

2022-05-05: Scott Brennan defends his MSc thesis, titled: "Ab initio molecular dynamics study of liquid electrolytes and their contributions to battery voltage." Congratulations, Scott!!!