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Bose-Einstein-Kondensat<p>6/n If you want to support our work, you could become part of our <a href="https://mstdn.social/tags/community" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>community</span></a> efforts by a Rechenkraft.net <a href="https://mstdn.social/tags/charity" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>charity</span></a> <a href="https://mstdn.social/tags/membership" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>membership</span></a> and add your ideas to ours. ;-)<br><a href="https://mstdn.social/tags/DIYbio" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DIYbio</span></a> <a href="https://mstdn.social/tags/lab" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>lab</span></a> <a href="https://mstdn.social/tags/instruments" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>instruments</span></a> <a href="https://mstdn.social/tags/OpenSource" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>OpenSource</span></a> <a href="https://mstdn.social/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> <a href="https://mstdn.social/tags/bioinformatics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>bioinformatics</span></a> <a href="https://mstdn.social/tags/CompChem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CompChem</span></a> <a href="https://mstdn.social/tags/AugmentedReality" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>AugmentedReality</span></a> <a href="https://mstdn.social/tags/MINT" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>MINT</span></a> <a href="https://mstdn.social/tags/Schule" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Schule</span></a> <a href="https://mstdn.social/tags/Lehre" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Lehre</span></a> <a href="https://mstdn.social/tags/STEM" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>STEM</span></a> <a href="https://mstdn.social/tags/education" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>education</span></a> <a href="https://mstdn.social/tags/TiltFive" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>TiltFive</span></a></p>
Bose-Einstein-Kondensat<p>5/n We are also in close contact with <a href="https://mstdn.social/tags/Richtsbergschule" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Richtsbergschule</span></a> in <a href="https://mstdn.social/tags/Marburg" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Marburg</span></a> where <a href="https://mstdn.social/tags/HoloDeck" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>HoloDeck</span></a> will be used in <a href="https://mstdn.social/tags/biology" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>biology</span></a> &amp; <a href="https://mstdn.social/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> <a href="https://mstdn.social/tags/teaching" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>teaching</span></a> <a href="https://mstdn.social/tags/classes" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>classes</span></a> using <span class="h-card" translate="no"><a href="https://mastodon.gamedev.place/@tiltfive" class="u-url mention" rel="nofollow noopener noreferrer" target="_blank">@<span>tiltfive</span></a></span> hardware, soon.<br><a href="https://mstdn.social/tags/DIYbio" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DIYbio</span></a> <a href="https://mstdn.social/tags/lab" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>lab</span></a> <a href="https://mstdn.social/tags/instruments" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>instruments</span></a> <a href="https://mstdn.social/tags/OpenSource" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>OpenSource</span></a> <a href="https://mstdn.social/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> <a href="https://mstdn.social/tags/bioinformatics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>bioinformatics</span></a> <a href="https://mstdn.social/tags/CompChem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CompChem</span></a> <a href="https://mstdn.social/tags/AugmentedReality" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>AugmentedReality</span></a> <a href="https://mstdn.social/tags/MINT" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>MINT</span></a> <a href="https://mstdn.social/tags/STEM" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>STEM</span></a> <a href="https://mstdn.social/tags/education" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>education</span></a></p>
Bose-Einstein-Kondensat<p>3/n Especially <a href="https://mstdn.social/tags/kids" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>kids</span></a> intuitively understood complex <a href="https://mstdn.social/tags/molecular" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>molecular</span></a> relationships &amp; had a lot of fun <a href="https://mstdn.social/tags/playing" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>playing</span></a> with colorful <a href="https://mstdn.social/tags/protein" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>protein</span></a>, <a href="https://mstdn.social/tags/DNA" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DNA</span></a> &amp; <a href="https://mstdn.social/tags/RNA" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>RNA</span></a> <a href="https://mstdn.social/tags/structures" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>structures</span></a> making our <a href="https://mstdn.social/tags/AR" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>AR</span></a> tool a valuable <a href="https://mstdn.social/tags/educational" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>educational</span></a> companion.<br><a href="https://mstdn.social/tags/MINT" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>MINT</span></a> <a href="https://mstdn.social/tags/STEM" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>STEM</span></a> <a href="https://mstdn.social/tags/school" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>school</span></a> <a href="https://mstdn.social/tags/education" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>education</span></a> <a href="https://mstdn.social/tags/OpenSource" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>OpenSource</span></a> <a href="https://mstdn.social/tags/chem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chem</span></a> <a href="https://mstdn.social/tags/bioinformatics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>bioinformatics</span></a> <a href="https://mstdn.social/tags/CompChem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CompChem</span></a> <a href="https://mstdn.social/tags/AugmentedReality" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>AugmentedReality</span></a></p>
Bose-Einstein-Kondensat<p>2/n While our <a href="https://mstdn.social/tags/IdeenExpo" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>IdeenExpo</span></a> presentation from last year just covered <a href="https://mstdn.social/tags/Windows" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Windows</span></a> OS, this time we presented the <a href="https://mstdn.social/tags/AR" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>AR</span></a> molecular visualization system running under <a href="https://mstdn.social/tags/Ubuntu" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Ubuntu</span></a> 24.04LTS <a href="https://mstdn.social/tags/Linux" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Linux</span></a>. Lots of fun explaining...<br><a href="https://mstdn.social/tags/DIYbio" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DIYbio</span></a> <a href="https://mstdn.social/tags/lab" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>lab</span></a> <a href="https://mstdn.social/tags/instruments" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>instruments</span></a> <a href="https://mstdn.social/tags/OpenSource" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>OpenSource</span></a> <a href="https://mstdn.social/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> <a href="https://mstdn.social/tags/bioinformatics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>bioinformatics</span></a> <a href="https://mstdn.social/tags/CompChem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CompChem</span></a> <a href="https://mstdn.social/tags/AugmentedReality" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>AugmentedReality</span></a></p>
Bose-Einstein-Kondensat<p>1/n Proud to present the next <a href="https://mstdn.social/tags/prototype" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>prototype</span></a> development round of our Rechenkraft.net <a href="https://mstdn.social/tags/Molecular" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Molecular</span></a> <a href="https://mstdn.social/tags/AR" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>AR</span></a> Environment at <a href="https://mstdn.social/tags/CLT2025" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CLT2025</span></a> (March 22/23rd): An <a href="https://mstdn.social/tags/OpenSource" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>OpenSource</span></a> approach based on the @tiltfive.bsky.social hardware to visualize <a href="https://mstdn.social/tags/molecular" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>molecular</span></a> structures in <a href="https://mstdn.social/tags/3D" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>3D</span></a>.<br><a href="https://mstdn.social/tags/DIYbio" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DIYbio</span></a> <a href="https://mstdn.social/tags/lab" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>lab</span></a> <a href="https://mstdn.social/tags/instruments" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>instruments</span></a> <a href="https://mstdn.social/tags/bioinformatics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>bioinformatics</span></a> <a href="https://mstdn.social/tags/CompChem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CompChem</span></a></p>
Evan Spotte-Smith (they/them)<p>I'll be leaving for ACS Spring Meeting tomorrow! If you're attending and want to meet up, send me an e-mail or DM! <a class="hashtag" href="https://bsky.app/search?q=%23ACSSpring2025" rel="nofollow noopener noreferrer" target="_blank">#ACSSpring2025</a> <a class="hashtag" href="https://bsky.app/search?q=%23CompChem" rel="nofollow noopener noreferrer" target="_blank">#CompChem</a> ⚗️ 🧪</p>
Piia Bartos<p>I like how the random placement of ions made me a nice cluster of sodium. Wonder why they don't want to stick together and the simulation keeps exploding...</p><p><a href="https://mastodontti.fi/tags/compchem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>compchem</span></a> <a href="https://mastodontti.fi/tags/ThereIsYourProblem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>ThereIsYourProblem</span></a> <a href="https://mastodontti.fi/tags/science" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>science</span></a> <a href="https://mastodontti.fi/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> <a href="https://mastodontti.fi/tags/simulation" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>simulation</span></a></p>
Evan Spotte-Smith (they/them)<p>Reminder to submit abstracts for the Fall ACS Meeting! I'm organizing the symposium "Chemical Reaction Networks, Retrosynthesis, and Reaction Prediction". Please feel free to spread the word! Non-US researchers, while I'd love to see you in DC, please prioritize your health and safety. ⚗️ <a class="hashtag" href="https://bsky.app/search?q=%23CompChem" rel="nofollow noopener noreferrer" target="_blank">#CompChem</a></p>
pwk2024<p>Opportunity for <a href="https://beta.argyle.social/tags/cheminformatics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>cheminformatics</span></a> data scientist at Drug Hunter (USA remote) <a href="https://beta.argyle.social/tags/DataScience" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DataScience</span></a> <a href="https://beta.argyle.social/tags/CompChem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CompChem</span></a> <a href="https://beta.argyle.social/tags/ChemJobs" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>ChemJobs</span></a> <a href="https://beta.argyle.social/tags/chemsky" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemsky</span></a> 🧪<br>drughunter.isolvedhire.com/jobs/1444460<br><a href="https://drughunter.isolvedhire.com/jobs/1444460" rel="nofollow noopener noreferrer" target="_blank"><span class="invisible">https://</span><span class="ellipsis">drughunter.isolvedhire.com/job</span><span class="invisible">s/1444460</span></a></p>
pwk2024<p>Opportunity for <a href="https://beta.argyle.social/tags/cheminformatics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>cheminformatics</span></a> data scientist at Drug Hunter (USA remote) <a href="https://beta.argyle.social/tags/DataScience" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DataScience</span></a> <a href="https://beta.argyle.social/tags/CompChem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CompChem</span></a> <a href="https://beta.argyle.social/tags/ChemJobs" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>ChemJobs</span></a> <a href="https://beta.argyle.social/tags/chemsky" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemsky</span></a> 🧪<br>drughunter.isolvedhire.com/jobs/1444460<br><a href="https://drughunter.isolvedhire.com/jobs/1444460" rel="nofollow noopener noreferrer" target="_blank"><span class="invisible">https://</span><span class="ellipsis">drughunter.isolvedhire.com/job</span><span class="invisible">s/1444460</span></a></p>
theochemtud<p>Please share:<br>Last chance - 7.3. - to apply for a POSTDOC position at the junior group of Rico Friedrich </p><p>Topic: Data-driven and DFT methods for designing novel 2D and high-entropy materials</p><p>www.verw.tu-dresden.de/StellAus/ste...</p><p><a href="https://beta.argyle.social/tags/compchem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>compchem</span></a> <a href="https://beta.argyle.social/tags/chemsky" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemsky</span></a> <a href="https://beta.argyle.social/tags/postdoc" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>postdoc</span></a> <a href="https://beta.argyle.social/tags/science" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>science</span></a> <a href="https://beta.argyle.social/tags/chemjobs" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemjobs</span></a> <a href="https://beta.argyle.social/tags/phdlife" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>phdlife</span></a> ⚛️ 🧪<br><a href="https://www.verw.tu-dresden.de/StellAus/stelle.asp?id=11965&amp;lang=en&amp;style=cms2" rel="nofollow noopener noreferrer" target="_blank"><span class="invisible">https://www.</span><span class="ellipsis">verw.tu-dresden.de/StellAus/st</span><span class="invisible">elle.asp?id=11965&amp;lang=en&amp;style=cms2</span></a></p>
theochemtud<p>Please share:<br>Last chance - 7.3. - to apply for a POSTDOC position at the junior group of Rico Friedrich </p><p>Topic: Data-driven and DFT methods for designing novel 2D and high-entropy materials</p><p>www.verw.tu-dresden.de/StellAus/ste...</p><p><a href="https://beta.argyle.social/tags/compchem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>compchem</span></a> <a href="https://beta.argyle.social/tags/chemsky" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemsky</span></a> <a href="https://beta.argyle.social/tags/postdoc" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>postdoc</span></a> <a href="https://beta.argyle.social/tags/science" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>science</span></a> <a href="https://beta.argyle.social/tags/chemjobs" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemjobs</span></a> <a href="https://beta.argyle.social/tags/phdlife" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>phdlife</span></a> ⚛️ 🧪<br><a href="https://www.verw.tu-dresden.de/StellAus/stelle.asp?id=11965&amp;lang=en&amp;style=cms2" rel="nofollow noopener noreferrer" target="_blank"><span class="invisible">https://www.</span><span class="ellipsis">verw.tu-dresden.de/StellAus/st</span><span class="invisible">elle.asp?id=11965&amp;lang=en&amp;style=cms2</span></a></p>
Bose-Einstein-Kondensat<p><a href="https://mstdn.social/tags/OpenSource" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>OpenSource</span></a> multicolor <a href="https://mstdn.social/tags/3Dprinted" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>3Dprinted</span></a> <a href="https://mstdn.social/tags/molecular" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>molecular</span></a> <a href="https://mstdn.social/tags/orbital" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>orbital</span></a> models for a 1st semester organic <a href="https://mstdn.social/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> course:</p><p>- <a href="https://mstdn.social/tags/classroom" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>classroom</span></a>-acessible MO theory<br>- transition state understanding<br>- <a href="https://mstdn.social/tags/PyMOL" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>PyMOL</span></a>- / <a href="https://mstdn.social/tags/Blender" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Blender</span></a>-exported .stl files</p><p><a href="https://doi.org/10.1021/acs.jchemed.4c00945" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">doi.org/10.1021/acs.jchemed.4c</span><span class="invisible">00945</span></a><br><a href="https://mstdn.social/tags/DIYchem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DIYchem</span></a> <a href="https://mstdn.social/tags/lab" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>lab</span></a> <a href="https://mstdn.social/tags/tools" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>tools</span></a> <a href="https://mstdn.social/tags/education" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>education</span></a> <a href="https://mstdn.social/tags/CompChem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CompChem</span></a> <a href="https://mstdn.social/tags/STEM" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>STEM</span></a> <a href="https://mstdn.social/tags/Chemie" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Chemie</span></a> <a href="https://mstdn.social/tags/Schule" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Schule</span></a> <a href="https://mstdn.social/tags/MINT" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>MINT</span></a></p>
FACCTs<p>Solute-solvent interactions can have a decisive influence on reaction mechanisms and reaction selectivities. Bistoni, Neese, Harden and co-workers studied the van der Waals solute-solvent interactions in detail using ORCA's method toolkit.</p><p><a href="https://doi.org/10.1039/D4SC04329D" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="">doi.org/10.1039/D4SC04329D</span><span class="invisible"></span></a></p><p><a href="https://mastodon.social/tags/ORCAqc" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>ORCAqc</span></a> <a href="https://mastodon.social/tags/CompChem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CompChem</span></a> <a href="https://mastodon.social/tags/QuantumChem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>QuantumChem</span></a></p>
Piia Bartos<p>Reviewer #2 said my 80 ns simulations are too short.</p><p>I would also like longer simulations. However, I simulated the whole RNA Polymerase I complex with DNA with about 800k atoms. Which is far larger than usual systems in MD simulations. If I wanted microsecond scale simulations for this system, I would need months of calculation time. Furthermore, the simulations were not the main point of the story, they just supported the experiments...</p><p><a href="https://mastodontti.fi/tags/compchem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>compchem</span></a> <a href="https://mastodontti.fi/tags/science" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>science</span></a> <a href="https://mastodontti.fi/tags/reviewer2" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>reviewer2</span></a> <a href="https://mastodontti.fi/tags/AcademicChatter" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>AcademicChatter</span></a></p>
Evan Spotte-Smith (they/them)<p>Another disappointment, another not-surprise. ⚗️ 🧪 <a class="hashtag" href="https://bsky.app/search?q=%23CompChem" rel="nofollow noopener noreferrer" target="_blank">#CompChem</a><br><br>RE: <a href="https://bsky.app/profile/did:plc:yw4wvgalxaw62zj7qfyhykob/post/3lk3nhmja6k2m" rel="nofollow noopener noreferrer" target="_blank">https://bsky.app/profile/did:plc:yw4wvgalxaw62zj7qfyhykob/post/3lk3nhmja6k2m</a></p>
NMR Online Limited<p>Since announcing ELEMENTS - v1.00 // REUBEN, we've experienced increasing interest in our software and business.</p><p>Thank you 😊</p><p>FYI: We're fully booked with meetings and engineering time for the next few weeks, but your messages are always welcome and replied to.</p><p><a href="https://mstdn.science/tags/bioinformatics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>bioinformatics</span></a> <a href="https://mstdn.science/tags/biology" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>biology</span></a> <a href="https://mstdn.science/tags/biochemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>biochemistry</span></a> <a href="https://mstdn.science/tags/biophysics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>biophysics</span></a> <a href="https://mstdn.science/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> <a href="https://mstdn.science/tags/CompChem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CompChem</span></a> <a href="https://mstdn.science/tags/metabolomics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>metabolomics</span></a> <a href="https://mstdn.science/tags/NMR" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>NMR</span></a> <a href="https://mstdn.science/tags/NMRChat" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>NMRChat</span></a> <a href="https://mstdn.science/tags/NMROnline" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>NMROnline</span></a> <a href="https://mstdn.science/tags/physics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>physics</span></a> <a href="https://mstdn.science/tags/spectroscopy" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>spectroscopy</span></a> <a href="https://mstdn.science/tags/StructuralBiology" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>StructuralBiology</span></a></p>
NMR Online Limited<p>Productive times, NMR spectroscopy friends!</p><p>Simon is continuing to engineer and vigorously test ELEMENTS - v1.00 // REUBEN, so that we have a solid NMR software platform.</p><p>We're also looking forward to working in partnership with some leading names in the NMR field, too!</p><p><a href="https://mstdn.science/tags/bioinformatics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>bioinformatics</span></a> <a href="https://mstdn.science/tags/biology" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>biology</span></a> <a href="https://mstdn.science/tags/biochemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>biochemistry</span></a> <a href="https://mstdn.science/tags/biophysics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>biophysics</span></a> <a href="https://mstdn.science/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> <a href="https://mstdn.science/tags/CompChem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CompChem</span></a> <a href="https://mstdn.science/tags/metabolomics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>metabolomics</span></a> <a href="https://mstdn.science/tags/NMR" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>NMR</span></a> <a href="https://mstdn.science/tags/NMRChat" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>NMRChat</span></a> <a href="https://mstdn.science/tags/NMROnline" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>NMROnline</span></a> <a href="https://mstdn.science/tags/physics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>physics</span></a> <a href="https://mstdn.science/tags/spectroscopy" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>spectroscopy</span></a> <a href="https://mstdn.science/tags/StructuralBiology" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>StructuralBiology</span></a></p>
NMR Online Limited<p>"You're on to a winner!"</p><p>Now, this is what you call confidence building feedback concerning our software and business, NMR spectroscopy friends!</p><p>... and best of all, it was from a CTO, too!</p><p><a href="https://mstdn.science/tags/bioinformatics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>bioinformatics</span></a> <a href="https://mstdn.science/tags/biology" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>biology</span></a> <a href="https://mstdn.science/tags/biochemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>biochemistry</span></a> <a href="https://mstdn.science/tags/biophysics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>biophysics</span></a> <a href="https://mstdn.science/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> <a href="https://mstdn.science/tags/CompChem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CompChem</span></a> <a href="https://mstdn.science/tags/metabolomics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>metabolomics</span></a> <a href="https://mstdn.science/tags/NMR" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>NMR</span></a> <a href="https://mstdn.science/tags/NMRChat" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>NMRChat</span></a> <a href="https://mstdn.science/tags/NMROnline" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>NMROnline</span></a> <a href="https://mstdn.science/tags/physics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>physics</span></a> <a href="https://mstdn.science/tags/spectroscopy" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>spectroscopy</span></a> <a href="https://mstdn.science/tags/StructuralBiology" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>StructuralBiology</span></a></p>
NMR Online Limited<p>Thank you for the responses regarding ELEMENTS - v1.00 // REUBEN.</p><p>To confirm, when released, it will contain 8 ELEMENTS, highlighting what we can deliver as an NMR software provider.</p><p>We will shortly begin promoting ELEMENTS, detailing the features available for FREE!</p><p><a href="https://mstdn.science/tags/bioinformatics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>bioinformatics</span></a> <a href="https://mstdn.science/tags/biology" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>biology</span></a> <a href="https://mstdn.science/tags/biochemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>biochemistry</span></a> <a href="https://mstdn.science/tags/biophysics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>biophysics</span></a> <a href="https://mstdn.science/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> <a href="https://mstdn.science/tags/CompChem" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CompChem</span></a> <a href="https://mstdn.science/tags/metabolomics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>metabolomics</span></a> <a href="https://mstdn.science/tags/NMR" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>NMR</span></a> <a href="https://mstdn.science/tags/NMRChat" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>NMRChat</span></a> <a href="https://mstdn.science/tags/NMROnline" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>NMROnline</span></a> <a href="https://mstdn.science/tags/physics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>physics</span></a> <a href="https://mstdn.science/tags/spectroscopy" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>spectroscopy</span></a> <a href="https://mstdn.science/tags/StructuralBiology" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>StructuralBiology</span></a></p>