M.ShabanTameh
@shabantamehWife | Mom | Researcher #CompChem #ML #Catalysis #Scientific_Computing #Applied_Mathematics
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@IkutaroHamada
@SimonLisichi
@B_Moskowitz
"I had a teacher that didn't like me and I didn't like him. At the end of the year he decided to fail me. The ironic thing is that the topic was chemistry. I have the distinction of being the only chemistry laureate who failed the topic in high school!" - Tomas Lindahl
📢 Excited to announce My New Publication at Prof. Bredas @JBredas Lab: "Prediction of the Infrared Absorbance Intensities and Frequencies of Hydrocarbons: A Message Passing Neural Network Approach." #AI and #MachineLearning #NeuralNetworks pubs.acs.org/doi/10.1021/ac…
High-Throughput Computational Screening of Hydrocarbon Molecules for Long-Wavelength Infrared Imaging By @JBredas et al. @uarizona Read the paper 👉 go.acs.org/bnd
We study SnO2 gap energy using DFT and EOM-CCSD, addressing finite-size errors with a post-processing correction inspired by the KZK approach. Our method closely matches experimental results. Learn more 👇 aippub.org/4dpugwV
Excited to have our paper on the cover of AIP Advances! Twist-averaged EOM-CCSD gap energy of SnO2 with hybrid functional corrections. Read more: doi.org/10.1063/5.0212… @AIP_Publishing
A breakthrough in developing sulfur/organic hybrid polymeric materials for IR imaging. Our designed candidates, with high LWIR transparency, are expected to produce novel transparent hybrid sulfur/organic plastic materials. Read more in @ACSMatLett pubs.acs.org/doi/abs/10.102…
Electronic, vibrational, and optical properties of fullerene–S8 co-crystals - now published in Journal of Materials Chemistry C pubs.rsc.org/en/content/art…
If you’re choosing a research group to join, pay just as much - if not more - attention to the culture and mentoring style in the group than the research. You can succeed in lots of research areas or projects, but it’s tough to succeed in an unsupportive environment.
Excellent guidance on manuscript drafting.
Hopefully this #manuscript writing outline will help #PhD students, #postdoc, and EVERYONE working on scientific manuscripts. Happy writing! #AcademicTwitter #writingtips #WritingHacks #gradschool #phdchat @AcademicChatter @OpenAcademics @PhDVoice
Interested in thermodynamics and statistical mechanics? On @ChemRxiv, I present a pedagogical approach to "derive" the combined first & second law of thermodynamics (dE = TdS - PdV) from statistical mechanics. Would be happy to hear your thoughts/comments. chemrxiv.org/engage/chemrxi…
FSU researchers find space between polymer chains affects energy conversion: news.fsu.edu/news/science-t…
Announcing the 2021 (virtual) PCCS meeting!! When? Oct 11, 12, and 19 Who? A diverse array of speakers that span a variety of research topics, faculty ranks, and institutions Registration? forms.gle/nqATvN4hEXxz79… @ACSCatalysis @NatureCatalysis @NAMCATSOC @J_A_C_S @ChemCatChem
We watch in complete shock as Taliban takes control of Afghanistan. I am deeply worried about women, minorities and human rights advocates. Global, regional and local powers must call for an immediate ceasefire, provide urgent humanitarian aid and protect refugees and civilians.
We are still accepting contributions for this special issue from early-career surface scientists (includes current graduate students!!).
Surface Science has announced its first Young Investigator Special Issue and Best Paper #Award. Please share this announcement widely and we are looking forward to receiving many contributions from early-career surface scientists! @surface_science @ElsevierConnect
"Communication with other scientists, teachers, and young scholars of different fields drives me to expand and improve my knowledge and experience." Meet Maliheh Shaban Tameh in our newest #MeetCTC: bit.ly/2R3mHrz
[ASAP] Efficient Embedded Cluster Density Approximation Calculations with an Orbital-Free Treatment of Environments ift.tt/32kYA9P
Now out in @jctc_papers: In ECDA, we treat the environments with the orbital-free (OF) DFT. We expect ECDA-envOF(TF) to become a black-box local correlation method for scaling up high-level KS-DFT calculations in large heterogeneous materials. pubs.acs.org/doi/10.1021/ac…
(1/6) Super coding fun time now has a YouTube channel! Check out the first episode here: youtu.be/UJc1-sj8cOg
FSU chemistry professor uses old materials to make newer, better solar cells: news.fsu.edu/news/science-t…
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