Yuezhi Mao @YuezhiMao
Assistant Professor @SDSU Chemistry; Postdoc @StanfordUChem; PhD @UCB_Chemistry; Theoretical and computational chemist; @QChemSoftware developer maolab.sdsu.edu San Diego, CA Joined January 2013-
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Congratulations, @LabZuehlsdorff! It was my great pleasure to be involved in this very nice work.
Congratulations, @LabZuehlsdorff! It was my great pleasure to be involved in this very nice work.
Don't miss the next Q-Chem webinar from Xiaoliang Pan on April 25 at 11am Pacific! Xiaoliang will discuss his development of QMHub (an open-source package designed to perform QM/MM simulations with Q-Chem), including a demonstration with IQmol. zoom.us/webinar/regist…
Q-Chem has a wide range of methods for visualizing and analyzing excited states. This recent perspective paper from John Herbert provides a thorough review of Q-Chem's visualization and analysis features for excited states from TD-DFT calculations: doi.org/10.1039/D3CP04…
If you couldn't make it to last month's Q-Chem #compchem workshop (held as part of the 2024 VWSCC), we have you covered. All workshop lectures and exercises are now available on our YouTube channel. Learn about spectroscopy, EDA, IQmol, and more! youtube.com/playlist?list=…
Fun collaboration with @YuezhiMao and Alex W. Chin, driven by OSU master student Kye Hunter! We investigate how nonadiabatic and environmental effects influence the optical properties of proflavine. arxiv.org/abs/2403.03316
Exciting Opportunity! Q-Chem, Inc. is on the lookout for a talented computational scientist to join as a staff scientist at their main office in Pleasanton, CA. Explore this role & other recent postings on the MolSSI Job Site. Your next career move awaits! molssi.org/job-opportunit…
The Virtual Winter School on Computational Chemistry is currently underway! Don't miss the free Q-Chem Workshop on Thursday, 12:00 Pacific time. The workshop includes talks and hands-on exercises. View the full schedule and register here: winterschool.cc
Q-Chem is excited to be hosting a Q-Chem #compchem workshop for the Virtual Winter School of Computational Chemistry! The 2024 VWSCC lineup includes many exciting speakers and workshops. Learn more (and register for free!) here: winterschool.cc/program-2024
Thrilled to see Zach's first paper shorturl.at/dkpO2! We develop a theory to predict optical spectra in the condensed phase when molecular motions tune the brightness of transitions. Great collab with @LabZuehlsdorff! @JChemPhys @CUBoulderCHEM @OSU_Chemistry @doescience
One postdoctoral position is available at the moment related to lithium battery calculations. Please send your CV to [email protected], we are looking forward to your joining! Check more at our group website: wanlulilab.ucsd.edu
Particularly proud of this report in @JPhysChem on how we are lowering the barrier to students' success in physical chemistry. If you teach p-chem, and want to help diversify our discipline and enrich students' experience, please read and join #LABSIP! pubs.acs.org/doi/10.1021/ac…
This paper compares ETS-NOCV and ALMO-COVP, which provide MO interpretation for the CT term in EDA calculations. Both COVP and NOCV are integrated with Q-Chem's EDA2 in Q-Chem 6.1! Read the paper: doi.org/10.1021/acs.jc… Try it yourself! Request a demo: q-chem.com/try/
Training machine learning potentials for reactive systems: A Colab tutorial on basic models #machinelearning #compchem onlinelibrary.wiley.com/doi/10.1002/jc…
In this paper, the authors glean more info from ALMO-EDA by breaking down the POL terms into fragment-wise contributions. This feature is integrated with Q-Chem's EDA2, available in Q-Chem 6.1! pubs.acs.org/doi/10.1021/ac… Want to try it out? Request a demo: q-chem.com/try/
#compchem Good read: Exactly Fragment Additive Breakdown of Polarization for Energy Decomposition Analysis Based on the Self-Consistent Field for Molecular Interactions doi.org/10.1021/acs.jc…
Led by the Shao group at @UofOklahoma, we extended the idea of energy decomposition analysis to QM/MM free energy calculations for enzyme-catalyzed reactions recently. Great pleasure to be part of this work: pubs.acs.org/doi/full/10.10…
The final meeting of #Scialog: Negative Emissions Science, cosponsored by RCSA and @SloanFoundation, with support from @ClimateWorks, comes to a close today. Thanks to all who helped make this initiative a success!
Just published in @JCIM_JCTC! Our team (@Jiashu09 @mhg_group) introduces a novel metric characterizing charge transfer extent using the Earth Mover's Distance, applicable to centrosymmetric excitations and OO-DFT methods. Explore our new research here: pubs.acs.org/doi/10.1021/ac…
I am deeply saddened by the sudden and untimely passing of Prof. Doug Grotjahn at @SDSU Chemistry. Doug was an exceptional colleague, mentor, collaborator, and friend. I enjoyed discussing chemistry with him and greatly appreciate his advice. He will be remembered by many of us.
I am deeply saddened by the sudden and untimely passing of Prof. Doug Grotjahn at @SDSU Chemistry. Doug was an exceptional colleague, mentor, collaborator, and friend. I enjoyed discussing chemistry with him and greatly appreciate his advice. He will be remembered by many of us.
Interested in the PhD or MS program in Chemistry & Biochemistry at SDSU in sunny San Diego? 👩🔬🏖️ Join our open house this Thursday, Oct 19. Register at <bit.ly/applySDSU> and check out our ad! Please forward and/or DM me if interested.
Pratyush Tiwary @tiwarylab
11K Followers 963 Following Millard and Lee Alexander Professor in Chemical Physics at U Maryland. Molecules ∩ thermodynamics ∩ stat mech ∩ AI. Lab account but mostly dog + running tweets
Will Glover @WilliamJGlover
752 Followers 385 Following Assistant Professor of Chemistry at NYU Shanghai, and NYU. Theoretical chemist interested in excited-state dynamics.
Pierre-Francois Loos @TitouLoos
2K Followers 3K Following Theoretical chemist @CNRS @LCPQ_UMR5626 developing @quantum_package among other things #compchem #ercCoG
Mario Barbatti @MarioBarbatti
5K Followers 1K Following Theoretical chemist and physicist Professor @univamu Senior member @InstUnivFr Head of the Light & Molecules group https://t.co/xTjlPkUqCQ
Fernanda Duarte @fjduarteg
6K Followers 2K Following Computational Chemist. Assoc. Prof. @OxfordChemistry. Proud member of @duarte_group. Organic Chemistry Fellow at @HertfordCollege
Fang Liu @FangLiu_Emory
3K Followers 2K Following Theoretical/Computational Chemist @EmoryChem Assistant Professor
Yuanyue Liu @YuanyueL
2K Followers 636 Following Assistant professor @ UT Austin, computational material scientist, studying electrochemistry, electronic transport, and 2D materials
Diptarka Hait @fullCIalchemist
1K Followers 584 Following Theoretically, chemist. Postdoc @StanfordFellows @mtzlab. @UCB_Chemistry PhD @mhg_group. @ChemistryMIT SB. he/him/his.
The Journal of Chemic.. @JChemPhys
4K Followers 1K Following The MOST CITED journal in chemical physics publishing cutting edge research in all areas of modern #chemicalphysics and #physicalchemistry at @AIP_Publishing
Jean-Philip Piquemal @jppiquem
6K Followers 2K Following Theoretical Chemist @Sorbonne_Univ_ & Director @LCT_UMR7616, @ERC_Research Fellow, CSO & co-founder @qubit_pharma, FRSC (my views)
Etienne Palos @EtiennePalos
860 Followers 2K Following Using data to connect theories in chemical physics @PaesaniLab | @NSF GRFP + @SloanFoundation at @UCSanDiego | Husband & dad.
Andrew S. Rosen @Andrew_S_Rosen
7K Followers 4K Following Assistant Professor at @Princeton (Sum. 2024). Quantum-chemical engineer. Good vibes only. Lab: @RosenGroupPU
Olexandr Isayev 🇺�.. @olexandr
8K Followers 3K Following #CompChem Prof @CMU_Chem. Connecting chemical sciences with AI & #MachineLearning. #tarheels fan. Care:#design, #photography #Ukraine #cats🐈 Rants are mine
Miranda Quintana Grou.. @GroupQuintana
3K Followers 3K Following Miranda-Quintana group @UF Theoretical and Computational chemistry.
Hsing-Ta (Theta) Chen @ThetaChen
495 Followers 441 Following Assistant Professor of Chemistry & Biochemistry @NotreDame | Theoretical Chemical Physics
Rick Remsing @rcremsing
705 Followers 693 Following Assistant Professor, Theoretical Chemistry @RutgersChem
Anatole von Lilienfel.. @ProfvLilienfeld
6K Followers 5K Following FOLLOWS YOU Prof @UofTArtSci @UofTEngineering @researchuoft @acceleration_c @VectorInst; https://t.co/hCg3cdTftQ
Jan Mewes @dermewes
347 Followers 384 Following Quantum Mechanic | Chemist | Father | Brewer from Bonn with Roots in Frankfurt
Alice Walker @arwalker_on_gpu
958 Followers 879 Following Asst. Prof.@Wayne State, computational simulations of fluorescent biomolecules! @[email protected] 💙arwalker
Xuhui Huang @XuhuiHuangChem
1K Followers 795 Following Hirschfelder Chair, Professor of Chemistry @UWMadisonChem, Director @TCI_UW_Madison, Theoretical chemistry & Biophysics, previously @HKUST
CherryRebecca @x05qQ85326d4Iq
0 Followers 72 Following
Mac Kevin Braza @MacKevinBraza
490 Followers 2K Following Ph.D. student in Biochemistry and Molecular Biophysics at @RommieAmaro Lab @UCSanDiego
Boltzmann Labs @LabsBoltzmann
104 Followers 412 Following A Company with the vision of revolutionizing Drug Discovery. Designing precision medicine with data-driven solutions.
Heba Maher @HebaMaher2024
4 Followers 85 Following
Vyshnavi Vennelakanti @Vyshnavi_1812
84 Followers 104 Following Postdoctoral research associate (@EPrinceton) in Princeton MAE, completed PhD (@ChemistryMIT) in Prof. Kulik’s group (@KulikGroup, @MITChemE) at @MIT
NMR Online + NMRD @nmronline
4K Followers 6K Following #NMROnline – ELECTRO is a web-based, #NMR data analysis platform. #NMRD is a successor to NMR Draw, built in collaboration with Dr Frank Delaglio.
Dr. Surjit Ratnakar @SURJIT02069221
568 Followers 3K Following Researcher, PhD in computational chemistry, DFT, Molecular dynamics
Kathyzhang @Kathy_zhang_
357 Followers 598 Following Currently living in San Francisco, California fashion designer Hobbies: fitness, sports, mountain climbing, travel, shopping, food, golf
Gustavo de M. Seabra @gmseabra
544 Followers 903 Following Christian, husband, father, scientist. #CompChem Structure-Based Drug Design. @UFPharmacy Medicinal Chemistry, @UF. Tweets my own.
Candance Gittelman @CandanceG42555
43 Followers 5K Following
Ariane Nunes Alves @anunesalves
5K Followers 3K Following Computational Biochemist | Junior Group Leader @UniSysCat @TUBerlin | Topic Editor @jcim_jctc | 🇧🇷 #CompChem (ligand binding kinetics, crowding) #WomenInSTEM
Hafasha Mandela UG @mandela_hafasha
33 Followers 385 Following i love my family, i love to work, ilove to stay with good people
Arnab Chakraborty @achakra9
168 Followers 465 Following Graduate Student in Theoretical Chemistry at Michigan State University with @PiecuchPiotr, @IITKanpur alumnus
Jay Foley @Foley_lab
647 Followers 808 Following Wave enthusiast, Associate Professor @UNCCharlotte, he/his/him, views are my own.
Ramakrishna Reddy K @keesariRR
5 Followers 266 Following
Adedapo Adeyinka @AdedapoAdeyin11
115 Followers 651 Following
Jiahua Deng @jiahua_deng
59 Followers 268 Following
Layla_Young @LaylaYoung35959
1 Followers 543 Following
Xin Xu @Neo_XinXu
34 Followers 61 Following Assistant Professor ASU | Postdoc Stanford | PhD Northwestern | NJUer
Elysia @Elysia143375
4 Followers 558 Following
Dr. Ally Fry-Petit @FryPetit
769 Followers 713 Following Associate Prof. of Materials Chem. at CSU, Fullerton, researcher of complex crystal structures and mentor to amazing students All views expressed are personal
Cristina Trujillo �.. @Trujillo_Group
3K Followers 3K Following Computational Organic Chemist @UoMChemistry #compchem. Mum of 3 boys 🤩. Cyclist, yoga, cook, rock. Views my own. https://t.co/EZAPc9rZ9U
Jan-Niklas Boyn @QChemNik
270 Followers 530 Following Quantum Chemistry & Electronic Structure Theory. Asst. Prof. in the Chemistry Department at the University of Minnesota starting Fall 2024!
Sachin Rautela (Aspir.. @Exception_9987
28 Followers 284 Following 🌟 Aspiring PhD Student | Exploring MD simulations & computational chemistry | Passionate about Interdisciplinary research | 🏫 IIT Mandi Alumni
Harley-rose Snively @snively_ro26043
18 Followers 3K Following 😛Harley-rose 18 Join my free content👇💕
SDSU Chem-Biochem @SDSUChemBiochem
29 Followers 8 Following The Chemistry and Biochemistry Department at San Diego State University.
Wenxiang Ying @wenxiang_ying
107 Followers 256 Following PhD candidate @ University of Rochester, B.S. @ University of Science and Technology of China
Stephan Roche @StephanSroche
10K Followers 4K Following Physicist - ICREA Research Prof. @icreacommunity @icn2nano @_BIST @ls_quant #quantumtechnologies #quantumcomputing #TopologicalMatter #spintronics #graphene
jessica0815chen @jessica0815chen
3 Followers 31 Following
Humorous Weibo Miss @HumorousM7393
54 Followers 2K Following
Emilia Perce @EmiliaPerc20598
42 Followers 5K Following
Rosia Edsall @rosi_edsa
33 Followers 5K Following
Taylor Research Group @Taylorlab_Chem
746 Followers 527 Following Synthetic chemistry and chemical biology research group at the University of Arizona.
Kaia Toman @kaia_tom
52 Followers 5K Following
Boulama Abel @AbelBoulama
38 Followers 87 Following PhD Candidate /Atoms and Molecular Interaction physics/Atoms and radiation laboratory. UMa/Department of physics Cameroon
Ruqiya Rasul @RuqiyaRasul
0 Followers 73 Following
Larraine Hollimon @LHollimo
38 Followers 5K Following
Andres Felipe Usuga @UAGamer_1993
8 Followers 408 Following
Michele @michele_patten3
538 Followers 3K Following
Miriam Eheler @ehe_miria
24 Followers 3K Following
Pratyush Tiwary @tiwarylab
11K Followers 963 Following Millard and Lee Alexander Professor in Chemical Physics at U Maryland. Molecules ∩ thermodynamics ∩ stat mech ∩ AI. Lab account but mostly dog + running tweets
Grimme Lab @GrimmeLab
2K Followers 181 Following Development and application of efficient computational chemistry methods - based @UniBonn. This account is managed by group members of Prof. Stefan Grimme.
Will Glover @WilliamJGlover
752 Followers 385 Following Assistant Professor of Chemistry at NYU Shanghai, and NYU. Theoretical chemist interested in excited-state dynamics.
Pierre-Francois Loos @TitouLoos
2K Followers 3K Following Theoretical chemist @CNRS @LCPQ_UMR5626 developing @quantum_package among other things #compchem #ercCoG
Mario Barbatti @MarioBarbatti
5K Followers 1K Following Theoretical chemist and physicist Professor @univamu Senior member @InstUnivFr Head of the Light & Molecules group https://t.co/xTjlPkUqCQ
Laura Gagliardi @gagliardi8
7K Followers 350 Following U Chicago Professor. Previously at U Minnesota and U Geneva. From Italy. I value a culture of diversity.
Carolyn Bertozzi @CarolynBertozzi
78K Followers 3K Following Prof. @StanfordUChem; Baker Family Director, @Stanford_ChEMH; @HHMINews Investigator; EIC of @ACSCentSci; She/Her 🏳️🌈
Fernanda Duarte @fjduarteg
6K Followers 2K Following Computational Chemist. Assoc. Prof. @OxfordChemistry. Proud member of @duarte_group. Organic Chemistry Fellow at @HertfordCollege
JCTC Papers @jctc_papers
4K Followers 2 Following New papers in J. Chem. Theory Comput. (not affiliated with ACS)
The Journal of Physic.. @JPhysChem
29K Followers 1K Following Editors of JPC L, JPC A, JPC B, & JPC C sharing physical chemistry research articles, analysis, news, & more—Part of the @ACSPublications portfolio of journals
Frank Noe @FrankNoeBerlin
10K Followers 577 Following Scientist, #MachineLearning and #AI for the Sciences (esp. Physics/Chemistry). Scuba Diver and Traveler.
Fang Liu @FangLiu_Emory
3K Followers 2K Following Theoretical/Computational Chemist @EmoryChem Assistant Professor
Yuanyue Liu @YuanyueL
2K Followers 636 Following Assistant professor @ UT Austin, computational material scientist, studying electrochemistry, electronic transport, and 2D materials
Diptarka Hait @fullCIalchemist
1K Followers 584 Following Theoretically, chemist. Postdoc @StanfordFellows @mtzlab. @UCB_Chemistry PhD @mhg_group. @ChemistryMIT SB. he/him/his.
Tuckerman Group @GroupTuckerman
4K Followers 104 Following We perform research in theoretical chemistry, specifically classical and quantum statistical mechanics and machine learning methods applied to condensed phases.
Jan Jensen @janhjensen
9K Followers 655 Following Computational chemist at the University of Copenhagen. PChem Editor-in-Chief @PeerJChemistry. #compchem
Michele Ceriotti @MicheleCeriotti
3K Followers 392 Following Italian in Switzerland, @lab_COSMO PI. Husband of one, father of three. Increasing the entropy of the universe since 1982.
The Journal of Chemic.. @JChemPhys
4K Followers 1K Following The MOST CITED journal in chemical physics publishing cutting edge research in all areas of modern #chemicalphysics and #physicalchemistry at @AIP_Publishing
Jean-Philip Piquemal @jppiquem
6K Followers 2K Following Theoretical Chemist @Sorbonne_Univ_ & Director @LCT_UMR7616, @ERC_Research Fellow, CSO & co-founder @qubit_pharma, FRSC (my views)
Etienne Palos @EtiennePalos
860 Followers 2K Following Using data to connect theories in chemical physics @PaesaniLab | @NSF GRFP + @SloanFoundation at @UCSanDiego | Husband & dad.
Mac Kevin Braza @MacKevinBraza
490 Followers 2K Following Ph.D. student in Biochemistry and Molecular Biophysics at @RommieAmaro Lab @UCSanDiego
Alex Dickson @dicksonlab
2K Followers 523 Following Developing new methods for molecular simulation. Likes: Data vis; ML; drug discovery; semicolons. @[email protected]
Boltzmann Labs @LabsBoltzmann
104 Followers 412 Following A Company with the vision of revolutionizing Drug Discovery. Designing precision medicine with data-driven solutions.
The Camille and Henry.. @dreyfusfndn
954 Followers 740 Following The Camille and Henry Dreyfus Foundation is dedicated to the advancement of the chemical sciences. For info on our programs & events, see https://t.co/7uupFFx6uU.
Randall Snurr @RandallSnurr
2K Followers 484 Following John G. Searle Professor of Chemical & Biological Engineering @NorthwesternU
Vyshnavi Vennelakanti @Vyshnavi_1812
84 Followers 104 Following Postdoctoral research associate (@EPrinceton) in Princeton MAE, completed PhD (@ChemistryMIT) in Prof. Kulik’s group (@KulikGroup, @MITChemE) at @MIT
Cole Group @ColeGroupNCL
3K Followers 2K Following We are a computational research group @UniofNewcastle led by #UKRIFLF Dr Danny Cole specialising in atomistic simulations in medicinal chemistry and biology.
Beckman Foundation @BeckmanFnd
2K Followers 846 Following Supporting Young Scientists Today for Tomorrow’s Breakthrough Discoveries $700M+ in Grants Provided to Researchers in Chemistry and Life Sciences
QC Ware @QCWare
5K Followers 148 Following Enterprise Software and Services for #QuantumComputing https://t.co/KfYEuNo2U5 https://t.co/t3Ad0Kylhy https://t.co/K5gAi5xlpe
Duarte Group @duarte_group
2K Followers 487 Following This is the student-run Twitter account of the Duarte group in Oxford, tweeting all things computational. Check out our chemistry resources below!
Ariane Nunes Alves @anunesalves
5K Followers 3K Following Computational Biochemist | Junior Group Leader @UniSysCat @TUBerlin | Topic Editor @jcim_jctc | 🇧🇷 #CompChem (ligand binding kinetics, crowding) #WomenInSTEM
Grace Panetti @GracePanetti
861 Followers 618 Following Princeton BioLEC postdoc in the groups of Greg Scholes and Paul Chirik. Soon to be Assistant Prof at JHU. Trans queer woman
Arnab Chakraborty @achakra9
168 Followers 465 Following Graduate Student in Theoretical Chemistry at Michigan State University with @PiecuchPiotr, @IITKanpur alumnus
DIRACprogram @DIRACprogram
448 Followers 42 Following A Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations
Jay Foley @Foley_lab
647 Followers 808 Following Wave enthusiast, Associate Professor @UNCCharlotte, he/his/him, views are my own.
CCG_MOE @CCG_MOE
1K Followers 239 Following CCG (Chemical Computing Group) is a leading supplier of drug discovery software solutions. CCG’s main software platform is MOE. More information at https://t.co/Epgt4ydwg5
Jiahua Deng @jiahua_deng
59 Followers 268 Following
Francesco Paesani @F_Paesani
102 Followers 79 Following
Dr. Ally Fry-Petit @FryPetit
769 Followers 713 Following Associate Prof. of Materials Chem. at CSU, Fullerton, researcher of complex crystal structures and mentor to amazing students All views expressed are personal
Cristina Trujillo �.. @Trujillo_Group
3K Followers 3K Following Computational Organic Chemist @UoMChemistry #compchem. Mum of 3 boys 🤩. Cyclist, yoga, cook, rock. Views my own. https://t.co/EZAPc9rZ9U
Miquel Solà @miquelsola
3K Followers 1K Following Theoretical and Computational Chemist, Universitat de Girona. Hobbies: tennis, biking, watching Girona FC & FC Barcelona matches...
Jan-Niklas Boyn @QChemNik
270 Followers 530 Following Quantum Chemistry & Electronic Structure Theory. Asst. Prof. in the Chemistry Department at the University of Minnesota starting Fall 2024!
PLUMED @plumed_org
3K Followers 4 Following #PLUMED is a plugin for enhanced sampling and analysis of #moleculardynamics simulations.
SDSU Chem-Biochem @SDSUChemBiochem
29 Followers 8 Following The Chemistry and Biochemistry Department at San Diego State University.
Wenxiang Ying @wenxiang_ying
107 Followers 256 Following PhD candidate @ University of Rochester, B.S. @ University of Science and Technology of China
Stephan Roche @StephanSroche
10K Followers 4K Following Physicist - ICREA Research Prof. @icreacommunity @icn2nano @_BIST @ls_quant #quantumtechnologies #quantumcomputing #TopologicalMatter #spintronics #graphene
Shahar Sukenik @shaharsu
1K Followers 1K Following alternating between running my lab @UCMerced and taking care of the kids. Tweets my own and mostly science-related.
Sloan Foundation @SloanFoundation
14K Followers 70 Following Alfred P. Sloan Foundation is a not-for-profit foundation that funds research and education in science, technology, engineering, mathematics, and economics.
Taylor Research Group @Taylorlab_Chem
746 Followers 527 Following Synthetic chemistry and chemical biology research group at the University of Arizona.
Stefan Vučković �.. @stefan_theochem
1K Followers 896 Following Head of Theoretical Chemistry lab at University of Fribourg (🇨🇭). From 🇷🇸. Views are my own
Tim Duignan @TimothyDuignan
953 Followers 2K Following Modelling and simulation of electrolyte solutions using quantum chemistry, stat mech and neural nets. #compchem #theochem
Ricardo Grau-Crespo @rgraucrespo
3K Followers 3K Following Associate Professor of Materials Theory @UniRdg_Chem, UK. Energy Materials, Disorder in Solids, Machine Learning.
Brandon Barnett @BRBchemistry
901 Followers 676 Following Assistant Professor of Chemistry @UofR | PI over at @BarnettLabUR | Personal account | Loves organometallics, MOFs, burritos, @SFGiants, and Oxford commas.
Zarko Boskovic @djavko
579 Followers 716 Following Tweets about chemistry, chemical biology, and some other things. https://t.co/v1IrqldMlI https://t.co/I9pJoRvEye
Ariel Furst @afurst1
2K Followers 2K Following
Saoumagrp @saoumagrp
3K Followers 2K Following Synthetic inorganic chemistry for energy and catalysis at Virginia Tech.
Xin Xu @Neo_XinXu
34 Followers 61 Following Assistant Professor ASU | Postdoc Stanford | PhD Northwestern | NJUer
Kyriakos | MaD Lab - .. @kstylian19
669 Followers 707 Following Assistant Professor_Oregon State University_Chemistry
Stephen Goggin @stephengoggin
580 Followers 600 Following Assistant Professor of Political Science @SDSU, PhD @UCBerkeley {Political Psychology, American Democratic Institutions, Statistics, Experiments}
Ali Lashani Zand @AliLZand1
83 Followers 876 Following I'm a research assistant in Center of Excellence for Nanoelectronics at the University of Tehran, working on 🔋 DFT, AIMD simulation.
Carlos G. Morales-Gui.. @morales_guio
527 Followers 322 Following Assistant Professor, UCLA Chemical and Biomolecular Engineering
Katie Shulenberger @keshulenberger
376 Followers 226 Following Physical Chemistry Faculty at Brandeis University | Tea-Drinker | Equestrian | she/her/hers
Atish @atishg95
134 Followers 567 Following
California Faculty As.. @CFA_United
7K Followers 2K Following CFA is an anti-racism, social justice union of 29k faculty at @calstate. We advocate for students, #highered, & faculty rights. #BlackLivesMatter #UnionStrong
Hylleraas Centre for .. @hylleraas
567 Followers 30 Following Norwegian Centre of Excellence. We develop and apply methods to simulate complex molecular systems interacting with fields and radiation.
ICIQ @ICIQchem
12K Followers 2K Following Institute of Chemical Research of Catalonia, based in Tarragona @iCERCA centre, member of @_BIST and @SOMM_alliance – Committed to a sustainable future.
Jacob Kirsh @KirshJacob
17 Followers 228 Following
Artur Izmaylov @artur_izmaylov
590 Followers 164 Following Professor of Theoretical Chemistry, University of Toronto https://t.co/up5uMoWT8eCheck out our latest preprint on @ChemRxiv in which we harness non-covalent interactions to direct site-selectivity in biomolecule acylation. Great work by coauthors @kuehl_nicholas , Hieu, and Joe! chemrxiv.org/engage/chemrxi…
🌟 Thrilled to share our latest study on protonated pentapeptides YGGFL & FGGYL! Under cryo-cooled conditions, we’ve uncovered unique fragmentation pathways and the critical role of intersystem crossing. Dive into the details! 🧬💡 #photochemistry | pubs.acs.org/doi/10.1021/ja…
Last class of this semester’s Chem 470: Machine Learning in Chemistry. Great presentations from the students!
Fun times in the Shee lab last week - AFQMC teamwork, and Brad giving a talk on his recent paper
No, better one is coming!
@chenru_duan @olexandr Agreed - wB97M-V is good enough, we’re done here!
Quest for Quantum Materials @SDSU @SDSUsciences @SDSUEngineering #AFOSRBoldResearch #AirForceResearchNews 🔗 sdsu.edu/news/2024/01/q…
Congratulations Jeffrey Long of @UCBerkeley, newly inducted #NASmember! #NAS161 #chemistry
Congratulations T. Don Tilley of @UCB_Chemistry, newly inducted #NASmember! #NAS161 #chemistry
We are very proud that last weekend Dr. Jon Nunes was one of the SDSU Alumni Awards of Distinction winners! An alumni of both our undergrad & graduate programs, Dr. Nunes has had an exemplary career at as an analytical chemist at Roche, and is currently their VP of Development!
Wow! I am honored to be named a 2024 Camille Dreyfus Teacher-Scholar! I am very grateful to @dreyfusfndn, my mentors, and @UCRiverside for their support, and to my lab members for their unique contribution!
Congratulations to Dr. Giulia Palermo, @UCRiverside, for being named a 2024 Camille Dreyfus Teacher-Scholar! @palermo_lab #DreyfusAwards
Grateful for the opportunity of attending lunch and having a stimulating conversation with Prof. Weitao Yang (@WeitaoYangGroup), whose fundamental work and algorithms have greatly influenced my research @PaesaniLab and ideas. Motivation through the roof! 📝🧑🏻💻
New paper alert: React-OT: Optimal Transport for Generating Transition State in Chemical Reactions (arxiv.org/abs/2404.13430). React-OT formulates TS search as a transport problem, approaching chemical accuracy while taking only 0.5 seconds in inference on a single GPU. #compchem
Just published in @JCIM_JCTC: how to extract *meaning* from arbitrary high-dim time series data? By using a dynamics based prior, our method outperforms β-VAE & other SOTA. Led by @DediWang97, supported by @doescience Paper: pubs.acs.org/doi/10.1021/ac… Code: github.com/tiwarylab/Dyna…
Congratulations to Zhenfei Liu for being promoted to Associate Professor with tenure! #wsuchemistry #CompChem
Our work on selected non-orthogonal configuration interaction (SNOCI) is officially in the Journal of Chemical Theory and Computation @JCIM_JCTC, @ACSPublications. pubs.acs.org/doi/10.1021/ac… Many thanks to my collaborators Fei Gao and Prof. Gustavo Scuseria @ScuseriaGroup
Our paper on dual fluorescence in proflavine is now out in @JPhysChem letters. This is master student Kye’s first first-author publication! pubs.acs.org/doi/10.1021/ac…
I got review instructions: "Routine or specialized studies are not suitable. Referees should review critically against these criteria." As a referee, I refused to comply. Solid science is made of routine, specialized work. These qualities should never be reasons for rejection.
Direct experimental observation of the elusive feline spin-1/2 particle.
Faculty News - The Journal of Physical Chemistry A has released a special Festschrift issue to recognize Distinguished Professor Krishnan Raghavachari and his outstanding contributions to the field of theoretical and computational chemistry. #iubchemistry loom.ly/uwQx3qM
So honored and happy to be a recipient of the Stanford Science Fellowship. humsci.stanford.edu/feature/2024-c…
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