A Cartesian encoding graph neural network for crystal structure property prediction: application to thermal ellipsoid estimation #rsc #feedly

Single‐Molecule Electrical Conductance in Z‐form DNA:RNA #chemistry #feedly

Experimental and theoretical studies of the electronic transport of an extended curcuminoid in graphene nano-junctions #rsc #feedly

[ASAP] Benchmarking Periodic Density Functional Theory Calculations for Spin-State Energies in Spin-Crossover Systems #acs #feedly

[ASAP] Thermal Jahn–Teller Distortion Changes and Slow Relaxation of Magnetization in Mn(III) Schiff Base Complexes #acs #feedly

Accurate State Energetics in Spin-Crossover Systems using Pure Density Functional Theory #rsc #feedly

Our PhD student @ASilvestreLlora has presented an oral communication at the congress 13a Trobada de Joves Investigadors. Congratulations !👏🏼👏🏼

Increasing the Magnetic Blocking Temperature of Single‐Molecule Magnets #chemistry #feedly

We are pleased to welcome Àlex, the new member of our group who will work on the joint project with UPC called Artificial Intelligence for Magnetic Devices in Quantum and Neuromorphic Computing.

RT @j_cirera: Please come visit the @IQTCUB @QuimicaUB stand at the upcoming #FestaCiènciaUB this weekend and try our #virtualreality tools…

[ASAP] Fe–Gd Ferromagnetic Cyclic Coordination Cluster [FeIII4GdIII4(teaH)8(N3)8(H2O)] with Magnetic AnisotropyTheory and Experiment #acs #feedly

RT @CCEM_Group: First day in for our new visiting PhD @FGomezMudarra from the group of @eegroupub @IQTCUB !!🥳🥳🤩Welcome to dublin and very e…

Molecular memory near room temperature in an iron polyanionic complex #chemistry #feedly

RT @eliseoruizsabin: UB-UPC Project for Electronic Structure and Artificial Intelligence for Magnetic Devices in Quantum and Neuromorphic…

[ASAP] Redox-Programmable Spin-Crossover Behaviors in a Cationic Framework #uncategorized #feedly

[ASAP] Coordination of LiH Molecules to Mo≣Mo Bonds: Experimental and Computational Studies on Mo2LiH2, Mo2Li2H4, and Mo6Li9H18 Clusters #uncategorized #feedly

[ASAP] Metal–Organic Nanocapsules with Functionalized s-Heptazine Ligands #uncategorized #feedly

Room Temperature Conductance Switching in a Molecular Iron(III) Spin Crossover Junction - now published in Chemical Science

[ASAP] Electronic Control of Spin-Crossover Properties in Four-Coordinate Bis(formazanate) Iron(II) Complexes #uncategorized #feedly

In Search of Chiral Molecular Superconductors: κ‐[(S,S)‐DM‐BEDT‐TTF]2ClO4 Revisited #uncategorized #feedly