News

• Oct 8, 2024: Universal machine-learned 1D DFT functionals published in J. Chem. Phys.

• Dec 4, 2023: Circular dichroism predictions published in Phys. Rev. Materials

• Sep 28, 2023: First-principles NaCl melting simulations featured in J. Chem. Phys.

• May 6, 2022: Review on electrochemical simulations published in Chem. Rev.

• Mar 16, 2022: First-principles spin relaxation in graphene published in Phys. Rev. B

• Jan 6, 2022: Interfacial asymmetry of water published in J. Chem. Phys.

• Sep 12, 2021: Congratulations, Dr. Abhishek Shandilya!

• Jul 20, 2021: Department of Energy program to advance computational electrochemistry

• May 28, 2021: Congratulations, Dr. Adela Habib!

• Jan 26, 2021: Machine learning for Electric Force Microscopy published in Mater. Charact.

• Sep 11, 2020: Congratulations, Dr. Fred Florio!

• Aug 6, 2020: Coupled EM - kinetics lithography simulation published in J. Phys. Chem. B

• Jul 27, 2020: High-efficiency Au-GaN hot hole injection published in Nature Materials

• Jun 3, 2020: General technique to predict spin-phonon relaxation published in Nature Commun.

• Apr 14, 2020: Hot carrier extraction at Cu-GaN interfaces published in ACS Nano

• Feb 10, 2020: Defects in multi-layer 2D materials published in Phys. Rev. B

• Feb 3, 2020: Trap-state prediction in nanocomposite interfaces published in J. Mater. Research

• Aug 28, 2019: Substrate effects on 2D defects published in Phys. Rev. Mater.

• Jul 8, 2019: Transport of plasmonic hot carriers published in Phys. Rev. Mater.

• Apr 10, 2019: AC signatures of electron hydrodynamics published in Phys. Rev. B

• Apr 3, 2019: Aluminum ultrafast dynamics published in Nano Lett.

• May 15, 2018: Hot carriers in plasmonic nitrides published in J. Opt.

• Apr 11, 2018: NESS solvation model published in J. Chem. Phys.

• Feb 28, 2018: J. Chem. Phys. 2017 feature article

• Feb 23, 2018: Low-power MRI magnet design in IEEE Trans. Magn.

• Dec 6, 2017: Defect engineering in 2D hBN published in Phys. Rev. Mater.

• Nov 21, 2017: Enhanced hot electron rise time published in Nature Commun.

• Nov 14, 2017: JDFTx software paper published in SoftwareX

• Oct 20, 2017: Plasmonic single-molecule redox published in Nature Commun.

• Oct 17, 2017: Electrochemical “gap capacitance” published in J. Phys. Chem. Lett.

• Oct 11, 2017: Ultralight 2D mirrors published in ACS Photonics

• Aug 17, 2017: Li-In battery anode materials published in Angewandte Chemie

• Mar 28, 2017: Nano-localized hot-carrier chemistry published in Nature Commun.

• Mar 24, 2017: Graphene hot carrier transport published in Adv. Opt. Mater.

• Mar 16, 2017: DFT in the grand-canonical ensemble published in J. Chem. Phys.

• Mar 14, 2017: Improved method for potentials in DFT published in J. Chem. Phys.

• Feb 27, 2017: New solvation models for electrochemistry published in J. Chem. Phys.

• Feb 22, 2017: Ab initio ultrafast spectroscopy paper published in Phys. Rev. Lett.

• Feb 2, 2017: Spring 2017 undergraduate research projects in the group

• Sep 12, 2016: Fall 2016 undergraduate research projects in the group

• Aug 22, 2016: Positions open!