Ines Martins

Postdoctoral Researcher @UCPH_Research
Research activities @BAMResearch

[Ines Martins @amorphous_girl]

Very excited to present my first #RSCPoster on our work combining crystallography with solid-state NMR and DFT calculations for characterizing amorphous and crystalline pharmaceutical systems.😄 #RSCAnalytical #RSCMat

Results available here: https://t.co/BSF0pakKUh

[Ines Martins @amorphous_girl]

@Amb84Ana @ThomasRades @AndersOMadsen @kirsten_mj @HenrikSaerkjaer @ChemicalScience Thank you Ana :)

[Ines Martins @amorphous_girl]

Very proud to share with you our exciting work on drug polyamorphism with @ThomasRades, @AndersOMadsen, @kirsten_mj, @HenrikSaerkjaer and co-workers, now published @ChemicalScience #MyFirstChemSci. https://t.co/0Vnoun9FEi

[Ines Martins @amorphous_girl]

@TomislavFriscic @Amb84Ana @ThomasRades @AndersOMadsen @kirsten_mj @HenrikSaerkjaer @ChemicalScience Thank you Tomislav :)

[Franziska Emmerling @FranEmmerling]

Here it is, @amorphous_girl @drclairemurray & Kerstin Scheurell. The role of solvent polarity in mechanochemical Knoevenagel condensation @BAMResearch @HumboldtUni #mechanochemistry https://t.co/ojqqiuVLrU

[Adam Michalchuk @amichalchuk]

Shaping up to be a fantastic issue in @PCCP , don't miss out! We're looking forward to receiving your fundamental #mechanochemistry papers 👇!

[Franziska Emmerling @FranEmmerling]

Happy to share our new work with @drclairemurray @amorphous_girl & Kerstin Scheurell @HumboldtChem . Exploring the Role of Solvent Polarity in Mechanochemical Knoevenagel Condensation: In-situ Tracking and Isolation of Reaction Intermediates | ChemRxiv - https://t.co/xfctIUw5XE

[Ines Martins @amorphous_girl]

Can polyamorphism be a reality when searching for better drug formulations? How to recognize different polyamorphs? Have a look at our exciting work with @ThomasRades @kirsten_mj @HenrikSaerkjaer and co-workers @UCPH_Research @p021_desy. ChemRxiv - https://t.co/QYLHlOY0sf

[Ines Martins @amorphous_girl]

@CJSmalley1 @FranEmmerling @BAMResearch @Crystals_MDPI @RoySocChem Thanks very much! Yes, I did the profile fit to the unit cell and the Rietveld refinement was performed for the model obtained after simulated annealing and also after DFT optimization. I only show one of the plots as they were both similar. #RSCPoster #RSCAnalytical #RSCMat

[Ines Martins @amorphous_girl]

Very excited to present my first #RSCPoster on our work combining crystallography with solid-state NMR and DFT calculations for characterizing amorphous and crystalline pharmaceutical systems.😄 #RSCAnalytical #RSCMat

Results available here: https://t.co/BSF0pakKUh

[Ines Martins @amorphous_girl]

@graeme_day @JGBrandenburg @nmr900 @FranEmmerling @BAMResearch @Crystals_MDPI @RoySocChem I totally agree with you. I think that ssNMR can help here, given it provides the composition of the asymetric unit as well as the stoichiometry. Could we bring this information into the CSP code and make the task easier? #RSCPoster #RSCAnalytical #RSCMat

[Ines Martins @amorphous_girl]

@graeme_day Thank you very much. #RSCPoster #RSCAnalytical #RSCMat

[Ines Martins @amorphous_girl]

@vl_deringer Thank you very much for your nice comment. @BAMResearch we really enjoy the multi-technique approach and the detailed structural insights that can be obtained. You'll be pleased to know that #MachineLearning is one of the next things on our radar ;-). #RSCPoster #RSCMat

[Ines Martins @amorphous_girl]

@graeme_day @JGBrandenburg @nmr900 @FranEmmerling @BAMResearch @Crystals_MDPI @RoySocChem Building on this work we are really interested in comparing co-crystal models from CSP methods with single crystal and powder diffraction data. I really like your work in this area – how well do you think these methods would transfer to amorphous materials? #RSCPoster #RSCMat 2/2

[Ines Martins @amorphous_girl]

@graeme_day @JGBrandenburg @nmr900 @FranEmmerling @BAMResearch @Crystals_MDPI @RoySocChem Thank you for your comments and your question 😃

I did periodic DFT calculations and used the PBE exchange-correlation function in Quantum Espresso for energy minimization. For the calculation of NMR parameters, I implemented the GIPAW approach. #RSCPoster #RSCMat 1/2

[Ines Martins @amorphous_girl]

@FranEmmerling @BVG_Kampagne @BISWAJI90595749 @amichalchuk @pfmoliveira @Biyajos So true 😂😂

[Ines Martins @amorphous_girl]

@FranEmmerling @HZB_BESSY @amichalchuk Here is our Adam BAMPresley!

[The Nobel Prize @NobelPrize]

Happy birthday to 2017 Chemistry Laureate Richard Henderson who was awarded the prize for his work developing cryo-electron microscopy, which can image molecules in our bodies in unprecedented detail.

[Ines Martins @amorphous_girl]

Amazing symposium with amazing PhD mums! 😃

[Franziska Emmerling @FranEmmerling]

Great symposium with the PhD mums Elena Boldyreva @BoldyrevaGroup & Teresa Duarte @cryst_t and aunty Ana Belenguer @ana_amb84 of my postdocs Adam Michalchuk @amichalchuk & Ines Martins @amorphous_girl. Glad to habe my kids around! #PhDmums #mechanochemistry #WomeninSTEM

[Ines Martins @amorphous_girl]

@FranEmmerling @amichalchuk @AnkeKabelitz @JuliaWStroh @BISWAJI90595749 @CarstenPrinz @IrinAkhm @BastiHafer @Biyajos @pfmoliveira @ABuzanich @JanniFalke Definitely! 😁📷

[Ines Martins @amorphous_girl]

@JuliaWStroh @p021_desy @AnkeKabelitz @CarstenPrinz @goggleeyealbert 🎵Love is in cement...everywhere I look around🎵, right @CarstenPrinz ? 😂