Smeu Group

2026-07-01: Prof. Smeu is awarded a Binghamton University Integrated Electronics Engineering Center (IEEC) Grant titled: "First-Principles Insights into Through-Glass Via Structural Evolution under Fabrication and Metallization Conditions!"

2026-07-01: Prof. Smeu is awarded a Binghamton University Integrated Electronics Engineering Center (IEEC) Grant titled: "First-Principles Insights into Through-Glass Via Structural Evolution under Fabrication and Metallization Conditions!"

2026-05-28: Prof. Smeu gives an invited presentation at McGill University: "Beyond Static Structures: Molecular Dynamics Effects in Quantum Electron Transport ." Thank you for the invitation, Prof. Kirk Bevan!

2026-03-06: Hashan Peiris defends his PhD thesis, titled: "Computational strategies for tailoring interfacial chemistry in advanced battery materials." Congratulations, Dr. Peiris!!!

2025-10-14: Prof. Smeu gives an invited presentation at the 248th ECS Meeting: "Electron Transport through the Solid Electrolyte Interphase from First Principles Simulations." Thank you for the invitation, Dr. Jeff Lowe!

2025-07-14-06: Kevin Batzinger defends his PhD thesis, titled: "Quantum transport in structurally varied systems." Congratulations, Dr. Batzinger!!!

2025-07-01: Prof. Smeu is awarded a Binghamton University Integrated Electronics Engineering Center (IEEC) Grant titled: "Facilitation of Hybrid Bonding at Low Temperatures" with Profs. Elias, Shim and Cotts.

2025-07-01: Prof. Smeu is awarded a Binghamton University Integrated Electronics Engineering Center (IEEC) Grant titled: "A Multi-scale ab initio Optimization of Packing Density and Cross-channel Scattering in Through-Silicon and Through-Glass Vias!"

2024-11-21: Prof. Smeu gives an invited presentation at Tohoku University: "Computational modeling of radicals as single molecule spin filters ." Thank you for the invitation, Prof. Makoto Kohda!

2024-11-18: Prof. Smeu gives an invited presentation at the 8th Symposium for the Core Research Clusters for Materials Science and Spintronics and the 7th Symposium on International Joint Graduate Programs in Materials Science and Spintronics : "Battery simulations with ab initio molecular dynamics." Thank you for the invitation, Mr. Reona Iimura!

2024-07-04: Prof. Smeu gives an invited presentation at the Institute of Theoretical Chemistry Seminar, Ulm University : "Computational Modeling of Next-Generation Batteries ." Thank you for the invitation, Prof. Axel Groß!

2024-07-01: Prof. Smeu is awarded a Binghamton University Integrated Electronics Engineering Center (IEEC) Grant titled: "Simulating The Efficiency and Thermal Expansion of a Thermoelectric-Gated Transistor from First Principles!"

2024-07-01: Prof. Smeu is awarded a Binghamton University Integrated Electronics Engineering Center (IEEC) Grant titled: "Modeling Current Flow through Interconnects with Thermal Atomic Motion and Alternating Bias !"

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!!!