The Rappe Group

We engage in theoretical investigation to explain and predict the properties of a broad spectrum of fascinating chemical systems.

@PennChemistry

[The Rappe Group @TheRappeGroup]

🎉 Shoutout to our very own Drew for being crowned June's Person of the Month! Your hard work keeps the science (and the vibes) strong 💪🔬

[The Rappe Group @TheRappeGroup]

Congratulations to our former group member @_SayanBanerjee on his new role! Sayan remains a friend of the group and is a great scientist—any grad or postdoc interested in theoretical chemistry or materials science would be lucky to work with him.

[Sayan Banerjee @_SayanBanerjee]

Excited to share that I’ll be joining the University of Tennessee Knoxville as an assistant professor this fall! I’ll be looking for grad students and postdocs—if you’re into theoretical chemistry or materials science, feel free to reach out ([email protected])

[The Rappe Group @TheRappeGroup]

🎉 Exciting news! Current group member Peter Bazianos and former member and collaborator Andreas Ghosh have been awarded 2025 NSF GRFP fellowships. Congrats to both on this incredible honor! 👏 https://t.co/TCB5B3AyUH

[The Rappe Group @TheRappeGroup]

Explore more about vibrational optical control via cation motions in perovskite #SolarCells!

"Hybrid perovskites are a... widely studied family of materials... potential use in high-performance, low-cost solar panels."

https://t.co/1L4LXMl7nn

@_Navendu_Mondal @NatureMaterials

[Zhen Jiang @jiang_zhen16]

New MOF materials for the applications in electrocatalysis (NRR) and batteries (lithium air) form our team @TheRappeGroup

[Thomas Beechem @beech_n_lab]

Ferroelectric hafnia is exciting. Other phases less so. We-7❗️groups working together as part of @doescience 3DFEM EFRC-found FTIR can differentiate them.

@UVAEngineers @LifeAtPurdue @PennStateMatSE @UT_PVIC @TheRappeGroup @ORNL_PhysSci @SandiaLabs

https://t.co/s7aKoF33T1

[Sayan Banerjee @_SayanBanerjee]

Theoretical prediction of a mechanochemically driven two-legged molecular walker on curved graphene. Check out our recent work https://t.co/kRExpMa591 @J_A_C_S @jamesbatteas @TheRappeGroup @PennChemistry @NSF_CMCC @VagelosEnergy

[Penn Chemistry @PennChemistry]

New work from @TheRappeGroup!

[The Journal of Physical Chemistry @JPhysChem]

.@TheRappeGroup’s new publication sheds new light on the utility of topological materials in electrochemical catalysis by reporting a topological Bismuth cathode for low overpotential of oxygen reduction reactions in fuel cell.
https://t.co/t2hGJH5AZa

[The Rappe Group @TheRappeGroup]

Hi everyone! Please attend the Rappe Group Open House tomorrow, starting at 5pm! We engage in theoretical investigation to explain and predict the properties of a broad spectrum of fascinating chemical systems! 🖥️ #chemistry

[DrB_at_UMBC 🏳️‍🌈 @BennettLabsUMBC]

First Bennett group dinner with 2 very special guests, @akhan457 and @TheRappeGroup ! Way to represent @UMBCChemistry #compchem #STEM #materials @AriaTauraso @umbc_lsamp

[Penn Arts & Sciences @PennSAS]

Prof. Andrew Rappe of @PennChemistry and colleagues from @illinoistech and @thisisUIC have developed a system that can convert CO2 emissions into propane, a cleaner, more energy-dense fuel source. https://t.co/QcPvdoS7kY @Penn @TheRappeGroup

[Maggie Hudson @NanoChemMaggie]

@PRX_Energy Imidazolium-functionalized Mo3P nanoparticles with an ionomer coating for electrocatalytic reduction of CO2 to propane in @NatureEnergyJnl from Mohammad Asadi @e2MDL and team @illinoistech and @TheRappeGroup @PennChemistry https://t.co/jLmFeEK4ep

[Zhen Jiang @jiang_zhen16]

Check our new publication on Nature Energy, delivering an ionic liquid coating catalyst for efficient CO2RR to produce propane @TheRappeGroup

[Penn Arts & Sciences @PennSAS]

Prof. Andrew Rappe of @PennChemistry and collaborators explore high-quality thin films to propel power into the future. Potential applications include high-speed battery charging to energy-efficient computing says Rappe. https://t.co/yIKyJ7Whd6 @Penn @TheRappeGroup

[The Rappe Group @TheRappeGroup]

Former group member Dr. Yubo Qi has just started his faculty career at @UAB_Physics as an Assistant Professor ! Congratulations and best wishes 🎉

[The Rappe Group @TheRappeGroup]

@ACSCOMP @CCG_MOE Congrats @_SayanBanerjee! 🎉

[ACS COMP @ACSCOMP]

Congratulations to our @CCG_MOE Graduate Student Excellence Awardees: Liliana Gallegos, Soumajit Dutta, Leonardo dos Anjos Cunha, Vyshnavi Vennelakanti, and Sayan Banerjee! We are so excited to see you in San Francisco and hear about your amazing research!

[Nick Weadock @njweadock]

Out now in @Joule_CP : our comprehensive study of dynamic local order in MAPB and MAPI in which we find that these compounds are cubic on the streets, but tetragonal in the sheets! https://t.co/nl2E0xtgyD

[Penn Chemistry @PennChemistry]

Congrats to our students w/ @NSF Fellowships: Christian Gonzalez (Murray grp), Aaliyah Khan (@TheRappeGroup), Mika Maenaga (@GoldbergLabPenn), David Polefrone (@KozlowskiMarisa). Titouan Duston (Subotnik grp), Wenxiao Deng (@MalloukLab), Suraj Chandran (Subotnik) got hon. mention