DSCM NEWS

Al Dott. Gianluca Casotti il premio C.I.N.M.P.I.S. per la miglior Tesi di dottorato 2022

Al Dott. Gianluca Casotti il premio  C.I.N.M.P.I.S. per la miglior Tesi di dottorato 2022

Il Dott. Gianluca Casotti, attualmente assegnista di ricerca presso i laboratori Molecolab/SoS&PePsy del nostro dipartimento DCCI, è stato premiato dal C.I.N.M.P.I.S., Consorzio Interuniversitario Nazionale di ricerca in Metodologie e Processi...

Bando per il 38° ciclo - Call for 38th cycle

Bando per il 38° ciclo - Call for 38th cycle

Il bando per il 38° ciclo del Dottorato è stato pubblicato sul sito UNIPI https://dottorato.unipi.it/index.php/it/concorsi-d-ammissione-a-a-2022-2023/item/667.html con scadenza 8 Agosto.The call for the 38th cycle of the PhD has been published...

Il Dott. Gianluca Casotti premiato per la sua Tesi di Dottorato

Il Dott. Gianluca Casotti premiato per la sua Tesi di Dottorato

Congratulazioni al Dott. Gianluca Casotti, vincitore del Premio Miglior Tesi di Ateneo per il settore Scienze Chimiche, Scienze Biologiche, Scienze Agrarie e Scienze del Farmaco. La tesi “New protocols for...

 

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feathers conversion bioplasticCongratulations to our PhD student Elena Pulidori for her publication entitled: “One-Pot Process: Microwave-Assisted Keratin Extraction and Direct Electrospinning to Obtain Keratin-Based Bioplastic”. In this study it is proposed an efficient, non-expensive, and green process to recover keratin from industrial wastes (i.e., poultry feathers), which can be integrated in a one-pot process wherein raw keratin extract is directly used in electrospinning process (ES) to produce bioplastics, which are attractive for technological applications (e.g., bio packaging, purification / filtration membranes) in the framework of circular economy and in waste recycling.

20211210094503 FeatureImageCroppedCongratulations to our PhD student Edoardo Cignoni for his publication entitled: “A Different Perspective for Nonphotochemical Quenching in Plant Antenna Complexes”. Light-harvesting complexes of plants exert a dual function of light-harvesting (LH) and photoprotection through processes collectively called nonphotochemical quenching (NPQ). While LH processes are relatively well characterized, those involved in NPQ are less understood.

oil paint mass spectrometryCongratulations to our Ph.D. students Silvia Pizzimenti and Giulia Caroti for their publication "Disclosing the chemistry of oil curing by mass spectrometry using methyl linoleate as a model binder" on Microchemical Journal. In this study a methodological approach for the systematic mass spectrometric investigation of the molecular features of the products of oxidative degradation and cross-linking of oil paint layers upon curing was implemented.

second order casscf choleskyCongratulations to our PhD student Tommaso Nottoli for his publication entitled: “Second-Order CASSCF Algorithm with the Cholesky Decomposition of the Two-Electron Integrals”. In this contribution, we present the implementation of a second-order complete active space–self-consistent field (CASSCF) algorithm in conjunction with the Cholesky decomposition of the two-electron repulsion integrals.

second order choleskyCongratulations to our PhD student Tommaso Nottoli for his publication entitled: “A black-box, general purpose quadratic self-consistent field code with and without Cholesky decomposition of the two-electron integrals”. In this work, we present the implementation of a quadratically convergent self-consistent field (QCSCF) algorithm based on an adaptive trust-radius optimization scheme for restricted open-shell Hartree–Fock (ROHF), restricted Hartree–Fock (RHF), and unrestricted Hartree–Fock (UHF) references.

qmmm multilayer multiscaleCongratulations to our PhD student Michele Nottoli for his publication entitled: Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO Implementation. In this work, we present the implementation of a fully coupled polarizable QM/MM/continuum model based on the AMOEBA polarizable force field and the domain decomposition implementation of the conductor-like screening model.

DCCI|UNIPI
Dipartimento di Chimica
e Chimica Industriale
Department of Chemistry

and Industrial Chemistry
Via G. Moruzzi, 13 - Pisa, Italy
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Corso di Dottorato in
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