Revanth Elangovan @Revanth_Elango
Graduate Student - University of Oregon, | Alumnus - IIT PALAKKAD | Enhanced Sampling | Machine Learning | blogs.uoregon.edu/dhimanraygroup… Eugene,Oregon Joined March 2023-
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Pre print alert - Excited to share our recent work from our group titled ‘Enhanced Sampling of ligand binding coupled to RNA conformational Dynamics’. chemrxiv.org/engage/chemrxi… @uoregon @uoCHandBIC @DhimanRay16 #chemistry #researcharticle #RNA
Upcoming Physical Chemistry Rotation Talks - Thursday, June 12th @ 2pm in Pacific Hall, Room 30 - tinyurl.com/mr2y9yr9
Now published in @ACSCatalysis @ACSPublications pubs.acs.org/doi/10.1021/ac…
Now published in @ACSCatalysis @ACSPublications pubs.acs.org/doi/10.1021/ac… https://t.co/q9IiTVNxCa
ANRF N-PDF calls will open on 1st June. Feel free to write to me if you are interested in applying. Pls send your CV & a one-page summary of your graduate research to [email protected] (Experience in MD simulations, basic ML, & strong math) Group web: sites.google.com/view/tarakkchem
This work with former grad student Jack Hanni is now out in @JChemPhys Michele Parrinello Festschrift special issue doi.org/10.1063/5.0258… as a tribute to my PostDoc advisor @GroupParrinello! #compchem @uoCHandBIC
This work with former grad student Jack Hanni is now out in @JChemPhys Michele Parrinello Festschrift special issue doi.org/10.1063/5.0258… as a tribute to my PostDoc advisor @GroupParrinello! #compchem @uoCHandBIC
We hosted Prof. @OmarValsson this week for our PChem Seminar @uoCHandBIC . It was great listening to his work on enhanced sampling simulation and we very much enjoyed our discussion about science and academic life!
We hosted Prof. @OmarValsson this week for our PChem Seminar @uoCHandBIC . It was great listening to his work on enhanced sampling simulation and we very much enjoyed our discussion about science and academic life! https://t.co/du7EviXq96
Upcoming Physical Chemistry Seminar - Professor Gül Zerze, University of Houston - April 21st @ 2pm, Tykeson 140 tinyurl.com/4vhb6zdh
Upcoming Physical Chemistry Seminar - Professor Omar Valsson, University of North Texas - April 14th @ 2pm in Tykeson 140 tinyurl.com/ucma5rca
Starting now in room 33C with @DhimanRay16 our first speaker, talking about combining path sampling with biased sampling to obtain long timescale kinetics. @GiEmmePi1
Starting now in room 33C with @DhimanRay16 our first speaker, talking about combining path sampling with biased sampling to obtain long timescale kinetics. @GiEmmePi1 https://t.co/OnxBssF5MZ
@GiEmmePi1 and I organized a symposium at the @AmerChemSociety annual meeting in San Diego, and we have a stellar list of speakers! @CHHDellago @DhimanRay16 @LuigiBonati @GroupTuckerman @kamerlinlab @ChengBingqing @limmerlab @PilarCossio2 @glenhocky @XuhuiHuangChem @matteoslvlgl
Some #FEP history. I presented our ethane to methanol calculations at an NSF workshop in Spring 1985 that was attended by Martin Karplus and stat mech folks. Here is a subsequent letter from him and the first page of the draft of JCP 1985, 83, 3050. I sent him the preprint.
Excited to start teaching for the first time as a faculty! That too a brand new course designed from scratch! Many thanks to @uoCHandBIC for giving me this opportunity!
TODAY! Physical Chemistry Rotation Talks - Thursday, December 12th @ 2pm in 30 Pacific Hall tinyurl.com/3c97ppfb
Just out in @JChemPhys! Integrating Weighted Ensemble (@WestpaSoftware) with OPES-Flooding for accurate and efficient calculation of rare-event kinetics involving barrier crossing and diffusion (e.g. protein folding, ligand binding) @uoCHandBIC #compchem doi.org/10.1063/5.0239…
First preprint from my research group @uoCHandBIC: My postdoc Sompriya demonstrates the use of explainable representations of neural network CVs made using lasso regression surrogate models to perform enhanced sampling, tinyurl.com/ykz42cm5 #compchem
Upcoming P-Chem Seminar - Professor Dhiman Ray, University of Oregon - October 28th @ 2pm in Tykeson 140 tinyurl.com/jnymth4r
This is fantastic. My group has already started using it and we found it super helpful!
This is fantastic. My group has already started using it and we found it super helpful!
Excited to begin my PhD journey in the University of Oregon (UO), Eugene, USA 🎓. Happy to be part of Ray Computational Biophysics Group, working with Dhiman. Looking forward to exploring new frontiers in the field. A heartfelt thank you to everyone who has supported me on this!
I have a new colleague and he is hiring
I have a new colleague and he is hiring
🤓Interested in #ionchannels? We have #jobopportunities #PhD students and #Postdocs in our lab @mpi_nat in the #deGroot group! #MD simultaions #computing #physcis #AcademicChatter👉More details in full #job advert🔗 t1p.de/ttqqj or on web mpinat.mpg.de/degroot
Oriana Silva @Orianasilvab
21 Followers 180 Following Computational Chemistry Ph.D. student at @UNTChemistry
Jakub Rydzewski @jkrd... @JakubRydzewski
538 Followers 602 Following Assistant professor at NCU. Developing methods for atomistic simulations. Building a research group! Before: @AIST_EN, @CompBioPhys and @GroupParrinello.
Mary @y99CfJqY6L3ZPL1
22 Followers 1K Following
Kriti Alam(he/him) @KRITIALAM3
678 Followers 1K Following Grad Student, 2nd Year @UNTChemistry🧬👨💻 Alumni @iitjodhpur Research Interests:- Enhanced Sampling, Condensed-phase chemistry, Molecular Crystals
Jane Robinson @Ede1Ezekiel
97 Followers 858 Following Jane Robinsis an administrative assistant with eight years of experience working alongside the executive team of a Fortune company. Mary specializes on marketin
Durgadevi Nandakumar @Durgadevi_N0110
3 Followers 119 Following Doctoral Student at Université Paul Sabatier | Alumna of IIT Palakkad |
Sudarshan @sudarshanb259
522 Followers 671 Following PostDoc Biomolecular Simulations @mpinat #compchem #moleculardynamics
Sangram Prusty @SangramPrusty1
157 Followers 525 Following PhD student@Straub and QC group @BUChemistry Theoretical Biophysics BS-MS alumnus @iiserkol
Joseph P Fernandez @JoePFernandez
350 Followers 451 Following Father and Husband at Home - Runner on the Path - Homesteader in Ohio - Computational Chemistry Post Doc Fellow at UC - @philosofern in the wild.
Pengchao Zhang @Pengchao1997
124 Followers 727 Following PhD @Tsinghua_Uni. Bachelor @2024_HUST. #AI4Science, #compchem, #enhancedsampling, #MachineLearning.
Miłosz Wieczór (@mi... @MiWieczor
1K Followers 1K Following Post-doctoral fellow at @IRBBarcelona (@orozco_lab). Running Gromologist, Molywood, and the Phase Space Invaders podcast. 🇵🇱❤🇺🇦
Timothée Devergne @TDevergne
87 Followers 133 Following PhD from @Sorbonne_Univ_, now postdoc @IITalk. Doing machine learning to study physical and chemical transformations(He/Him)
Barak Hirshberg 🎗�... @barak_hirshberg
2K Followers 1K Following #MolecularSimulations | Asst. Prof. @TelAvivUni 🇮🇱 | PD: Rothschild Fellow @GroupParrinello @ETH_en 🇨🇭 | PhD: Adams Fellow, w/Benny Gerber @HebrewU | #newPI
Sayan Atta @SayanAtta95
38 Followers 143 Following Postdoctoral Scholar, @uoregon, @PluthGroup PhD, @iacskolkata, @amit_IACS | @iitg and @mcautonomous alumnus #BioinorganicChemistry #ChemicalBiology
Tarak Karmakar @TarakChem
3K Followers 3K Following Associate Professor, Dept of Chem @Chemistry_IITD @IITDelhi | Molecular dynamics, Enhanced sampling & Machine learning | Teaching | Exploring world & life! 🇮🇳
Omar Valsson @OmarValsson
2K Followers 5K Following Assistant Professor in Theoretical/Computational Chemistry at University of North Texas - @UNTChemistry - Developer of atomistic simulations methods
Vignesh Kumar @RvigneshK
368 Followers 1K Following PostDoc at @UOKnightcampus. Working in the field of Biomaterials and regenerative medicine.
Valerio Rizzi @ValerioRizzi33
172 Followers 295 Following Maître-assistant @gervasiolab @unige_en | PostDoc @GroupParrinello | Computational physicist, #MolecularDynamics #Biophysics 🦋 https://t.co/ABvRYaKnZS
Dr. Umadevi Deivasiga... @UmadeviDeivasig
112 Followers 318 Following Computational Chemist, Scientist (DST-WOSA) #womeninSTEM @PalakkadIIT Ex @WatsonGroupTCD @tcddublin @TCD_Chemistry @IICT_Hyderabad @iiscbangalore
Rahul Pandit kumar @RahulPanditkum1
43 Followers 255 Following Researcher | Electroanalytical Chemistry | Wearable Biomedical Devices |
Tucesski @TucesskiV_wpla
129 Followers 4K Following
Sudip Das @SudipDa09195612
275 Followers 333 Following Postdoc in @GroupParrinello @IITalk Former PhD student @jncbala @jncasr #MolecularSimulation #compchem #biophysicalchemistry #ML Email: [email protected]
Vignesh Nandhagopal @Vignesh6678
37 Followers 400 Following Biotechnology graduate Research in the area of Biomolecular modelling & simulations # Computational Biophysics & Biology https://t.co/wI3J1ZzLzf
Dhiman Ray @DhimanRay16
1K Followers 765 Following Assistant Prof @uoCHandBIC, PostDoc @GroupParrinello @IITalk Genoa, PhD @UCIChemistry, BS-MS @iiserkol, Computational Biophysics (ML and MD Simulation)
Debdas Dhabal @dhabaldebdas
663 Followers 577 Following Assistant Professor, @IITGChem @IITGuwahati, Former Post Doc: @UUtah & @Penn, PhD: @iitdelhi Computational Materials Chemistry, #Macromolecules, #Biomaterials
Natan @Natan4498
81 Followers 925 Following
HARIHARAN M @M_Hariharan_
81 Followers 368 Following Phd at University of Florida, USA. 👨🔬 @rr_lab Master in chemistry @ IISER_TVM @PhotoCatalysis @Organic Synthesis
the Piquemal Group @PiquemalGroup
2K Followers 2K Following #compchem Research Group @ Sorbonne Université/CNRS, led by @jppiquem 👉Follow us on Bluesky https://t.co/oUwRztAGiK
Dr. Shanmugaraju Sank... @s_shanmugaraju
920 Followers 1K Following Associate Professor of Chemisty, Indian Institute of Technology Palakkad
Vojtech Spiwok 🇺�... @spiwokv
3K Followers 5K Following Professor at UCT Prague interested in biomolecular simulations, enhanced sampling techniques, structural bioinformatics and drug design.
Laboratoire de Chimie... @LCT_UMR7616
3K Followers 2K Following LCT is a joint @Sorbonne_Univ_ & @CNRS Research Center. #compchem. ⚠ Frozen account 👉 Follow us on #BlueSky: https://t.co/Z9V8Fz0Bh5
Aleksey Kuznetsov @aleksey73kuzne1
2K Followers 2K Following #compchem Comp. chemistry group leader, assistant professor. Studies of novel core-modified porphyrins, Ru-complexes, MOFs, organic compounds for medicine.
APARNA INDULEKHA NAIR @AparnaIndulekha
53 Followers 182 Following Fell down 7 times...stood up the eighth because of the love for chemistry and life...
Pradip Si @pradipchm
247 Followers 751 Following Grad Student #compchem @UNTChemistry getting into #enhancedsampling🙂learning #DFT #AI #ML #Python🙂free time⚽🏃📖🎧 Person who #stutters.
Dr. S. Jaishankar @DrSJaishankar
4.0M Followers 35 Following External Affairs Minister of India. Member of Parliament (Rajya Sabha) from Gujarat State.
University of Oregon @uoregon
153K Followers 8K Following Oregon's flagship research university tucked into the scenic Willamette Valley. 💚💛 #UOregon #GoDucks
Shuwen Yue @ShuwenYue
698 Followers 459 Following Assistant Professor @Cornell | molecular modeling + ML | prev @MIT @Princeton
Sapna Sarupria @SarupriaS
1K Followers 347 Following Views are my own (and not representative of my research group) Chemical and Biomolecular Engineering
shikshya bhusal @ShikshyaBhusal
15 Followers 94 Following Computational Chemist | Modeling and Simulation | PhD Candidate | UNT
Oriana Silva @Orianasilvab
21 Followers 180 Following Computational Chemistry Ph.D. student at @UNTChemistry
Dipesh Shrestha @dipesh8776
119 Followers 318 Following
Menachem Elimelech @TheElimelechLab
3K Followers 983 Following Elimelech Research Group. We study membranes and materials to meet the ever-growing need for clean, safe, and affordable water. And we have fun doing it!
JCTC Papers @jctc_papers
4K Followers 2 Following New papers in J. Chem. Theory Comput. (not affiliated with ACS)
Pedro J. Buigues @pedrojuanbj
124 Followers 226 Following PhD in Computational Biophysics. Biotechnologist by degree. CompChem, Machine Learning, Bioinformatics...everything with a pinch of Data Analysis.⌨️🖱️🖥️📊
Jane Robinson @Ede1Ezekiel
97 Followers 858 Following Jane Robinsis an administrative assistant with eight years of experience working alongside the executive team of a Fortune company. Mary specializes on marketin
Erik Lindahl - erikli... @eriklindahl
3K Followers 830 Following Prof. Biophysics, KTH, Linköping & Stockholm U. Chair IVA VII. Director National Academic Infrastructure of Supercomputing in Sweden. AI, HPC & Life Sciences.
Renjith Thomas @renjith7
579 Followers 1K Following Computers|ML|AI in Chemistry| Dean Global Partnership and Innovation @ St Berchmans College, Changnassery, India|Associate Professor, Dept of Chemistry
Matteo Salvalaglio @matteoslvlgl
424 Followers 286 Following PI at @UCL_MMEgroup. Views my own. he/him.
Pilar Cossio @PilarCossio2
698 Followers 205 Following
Bingqing Cheng @ChengBingqing
2K Followers 255 Following Computational materials scientist, avid cook | molecular simulations and molecular cuisine @chengbingqing.bsky.social
Caroline Lynn Kamerli... @kamerlinlab
9K Followers 6K Following Prof @GT_Chem @ga_res_alliance Eminent Scholar. Pianist, photographer, foodie, dreamer, mom. She/they. #FirstGen #MENA ❤️☀️💚 All views my own.
Glen Hocky @glenhocky
913 Followers 720 Following @nyuchemistry | alumnus of @UChiChemistry and @ChemColumbia Developing and using molecular simulation methods, also tweeting about it
Priyanka Verma @plasmonicpriya
991 Followers 728 Following = nRT👩🏻🔬 Asst. Prof., IIT Delhi @chemistry_iitd @iitdelhi, Advisory Editorial board @ecomat2019 Wiley, Alumni:StStephen's(DU)/IITH/Osaka/Soton/ShizuokaUniv.
Sayan Bhattacharyya @sayanb_iiserk
3K Followers 139 Following Professor at IISER Kolkata, India; Solid State Chemistry, Nanotech & Energy; Alum of STHS, CalcuttaUniv, Klyuniv, IITKanpur, BarIlanU, DrexelEngr; Dad of 2
Devleena Samanta @DevleenaSamanta
3K Followers 620 Following Assistant Professor @UTChemistry | Analytical Chemistry, Chemical Biology, Materials Science
Alberto Perez @Al__Perez
1K Followers 2K Following Asst. professor at UF. I use supercomputers to study DNA and proteins.
Wolf Lab @HiCryoEM
3K Followers 4K Following Cryo-EM on Okinawa! Structural Biology. Biophysics. Virology. Microbiology. OIST. Opinions are my own. 🇦🇹🇪🇺🇺🇸🇯🇵🇮🇱🇹🇼🇪🇸🇱🇰🇧🇷🇻🇪🇺🇦🇲🇽
Durgadevi Nandakumar @Durgadevi_N0110
3 Followers 119 Following Doctoral Student at Université Paul Sabatier | Alumna of IIT Palakkad |
Osvaldo Andrade Santo... @OASantos_Filho
89 Followers 213 Following Computational Chemist. Professor at the Federal University of Rio de Janeiro, Brazil. Interests: Structural Biology; Medicinal Chemistry; Molecular Simulations.
Rocio Semino @RS_Chemist
855 Followers 535 Following Theoretical chemist, associate professor @Sorbonne_Univ_ @LabPHENIX #ERCStG
Aniruddha Seal @_AniruddhaSeal
672 Followers 799 Following Theoretical chemistry PhD Candidate @UChicago w/ Laura Gagliardi and Andrew Ferguson | BS-MS’23 @niser_official | https://t.co/S2hUqJhDvO
Dibyendu Das @DDasLab
4K Followers 875 Following Head full of dreams! Associate Professor, Chemical Sciences, @iiserkol @ddaslab.bsky.social
Sangram Prusty @SangramPrusty1
157 Followers 525 Following PhD student@Straub and QC group @BUChemistry Theoretical Biophysics BS-MS alumnus @iiserkol
Anirban Paul @anirban_paul_
280 Followers 1K Following Pursuing Ph.D. at @snbkol in softmatter physics. https://t.co/X0v5Rb5UrO from @iitmadras. Interested in #moleculardynamics of lipids and charged polymers.
Sudarshan @sudarshanb259
522 Followers 671 Following PostDoc Biomolecular Simulations @mpinat #compchem #moleculardynamics
Abhik Ghosh Moulick @abhikgmoulick
371 Followers 1K Following Postdoc @KITKarlsruhe ll Postdoc @CUNY with @sloverde ll Ph.D. @snbkol || MS in Physics from @rkmveri || Soft Matter Physics ll Computational Biophysics ||
Fred salsbblue.bsky.s... @salsb
2K Followers 2K Following computational biophysicist; professor of physics & grad program director at Wake Forest University; EiC, Journal of Biomolecular Structure & Dynamics.
Joseph P Fernandez @JoePFernandez
350 Followers 451 Following Father and Husband at Home - Runner on the Path - Homesteader in Ohio - Computational Chemistry Post Doc Fellow at UC - @philosofern in the wild.
Pengchao Zhang @Pengchao1997
124 Followers 727 Following PhD @Tsinghua_Uni. Bachelor @2024_HUST. #AI4Science, #compchem, #enhancedsampling, #MachineLearning.
Andrea Rizzi @andrrizzi
643 Followers 226 Following Postdoctoral researcher @fz_juelich 🇩🇪 and @IITalk 🇮🇹 | Machine learning and molecular simulations for drug discovery and (bio)chemistry
Jim Pfaendtner @JimPfaendtner
7K Followers 3K Following Dean of Engineering, Faculty, Mental health advocate, @JPhysChem senior editor, PS5 enthusiast, fantasy/sci-fi.
limmerlab @limmerlab
2K Followers 308 Following Theoretical chemistry group @UCB_Chemistry, working in the areas of quantum dynamics and nonequilibrium statistical mechanics https://t.co/pqpnFjY6kn
Nature Computational ... @NatComputSci
7K Followers 329 Following A @SpringerNature journal on mathematical models and computational methods/tools that help advance science in multiple disciplines.
Machine Learning in C... @ML_Chem
5K Followers 7 Following Feed that aggregates publications about Machine Learning in Chemistry from over 200 journals of 15 editors. Contact @CYL_Lab for any question.
Jörg Grunenberg @JorgGrunenberg
707 Followers 357 Following Computational Chemistry; Computational Spectroscopy; Compliance code; Very Good Drummer; https://t.co/N7aIMzJNAc
Miłosz Wieczór (@mi... @MiWieczor
1K Followers 1K Following Post-doctoral fellow at @IRBBarcelona (@orozco_lab). Running Gromologist, Molywood, and the Phase Space Invaders podcast. 🇵🇱❤🇺🇦
ADG PI - INDIAN ARMY @adgpi
8.7M Followers 144 Following Additional Directorate General of Public Information, IHQ of MoD (Army)
Pushpita Ghosh @Pushpita2021
1K Followers 202 Following Assistant Professor @tvmiiser. Previously INSPIRE faculty @TIFRH_buzz. Theoretical/Computational Chemical/Biological Physics enthusiast.
Timothée Devergne @TDevergne
87 Followers 133 Following PhD from @Sorbonne_Univ_, now postdoc @IITalk. Doing machine learning to study physical and chemical transformations(He/Him)
nitika grover @25Nitu
619 Followers 984 Following Assistant Professor, Department of Chemistry @bitspilaniindia 🇮🇳Postdoc @TCD_Chemistry 🇮🇪. PhD in Chem @iitroorkee 🇮🇳. Synthetic chemist.Trends for United States
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