| Type |
Title |
Authors |
Partner |
Source |
Link |
| Article in journal |
Modelling investigation of the thermal treatment of ash-contaminated particulate filters |
Chung Ting Lao, Jethro Akroyd, Alastair Smith, Neal M. Morgan, Kok Foong Lee, Daniel Nurkowski, Markus Kraft |
CMCL |
Emission Control Science and Technology |
View |
| Article in journal |
The influence of alcohol, carbonate and polyethers as oxygenated fuels on the soot characteristics from a CI engine |
Yong Ren Tan, Qiren Zhu, Yichen Zong, Jiawei Lai, Maurin Salamanca, Jethro Akroyd, Wenming Yang, Markus Kraft |
CMCL |
Fuel |
View |
| Article in journal |
Effect of mixing and other operating conditions on the coprecipitation of Ni0.8Mn0.1Co0.1(OH)2 as precursor for lithium-ion cathodes |
Daniele Marchisio, Antonio Buffo, Gianluca Boccardo, Mojtaba Alidoost, Mohsen Shiea, Maria Laura Para, Tronci Giovanni |
POLITO |
Chemical Engineering Science, Elsevier |
View |
| Article in journal |
CFD-PBE modelling of continuous Ni-Mn-Co hydroxide co-precipitation for Li-ion batteries |
Mohsen Shiea, Andrea Querio, Antonio Buffo, Gianluca Boccardo, Daniele Marchisio |
POLITO |
Chemical Enginering Research & Design, Elsevier |
View |
| Article in journal |
Photo-Active Biological Molecular Materials: From Photoinduced Dynamics to Transient Electronic Spectroscopies
|
Irene Conti, Matteo Bonfanti, Artur Nenov, Ivan Rivalta, Marco Garavelli |
UNIBO-CHIMIND |
QM/MM studies of light-responsive bilogical systems |
View |
| Article in journal |
Spectral Tuning and Photoisomerization Efficiency in Push–Pull Azobenzenes: Designing Principles
|
Irene Conti, Giulio Cerullo, Artur Nenov, Marco Garavelli |
UNIBO-CHIMIND |
The Journal of the American Chemical Society |
View |
| Article in journal |
Ultrafast Spectroscopy of Photoactive Molecular Systems from First Principles: Where We Stand Today and Where We Are Going |
Irene Conti, Giulio Cerullo, Artur Nenov, Marco Garavelli |
UNIBO-CHIMIND |
Journal of the American Chemical Society |
View |
| Article in journal |
Multidimensional Potential Energy Surfaces Resolved at the RASPT2 Level for Accurate Photoinduced Isomerization Dynamics of Azobenzene |
Flavia Aleotti, Lorenzo Soprani, Artur Nenov, Roberto Berardi, Alberto Arcioni, Claudio Zannoni, Marco Garavelli |
UNIBO-CHIMIND |
Journal of Chemical Theory and Computation |
View |
| Article in journal |
Automatized Protocol and Interface to Simulate QM/MM Time-Resolved Transient Absorption at TD-DFT Level with COBRAMM |
Davide Avagliano, Matteo Bonfanti, Artur Nenov, Marco Garavelli |
UNIBO-CHIMIND |
Journal of Computational Chemistry |
View |
| Article in journal |
QM/MM Nonadiabatic Dynamics: the SHARC/COBRAMM Approach |
Davide Avagliano, Matteo Bonfanti, Marco Garavelli, Leticia Gonzalez |
UNIBO-CHIMIND |
Journal of Chemical Theory and Computation |
View |
| Publication in conference proceeding/workshop |
An ontology-enabled approach for modelling carbon black formation processes |
Daniel Nurkowski, Jethro Akroyd, Emanuele Ghedini, Joana Francisco Morgado, Adham Hashibon, Amit Bhave |
CMCL, UNIBO-CHIMIND, FRAUNHOFER |
M05 session of the MSE 2020 Congress 2020 |
|
| Publication in conference proceeding/workshop |
Digitalization of Knowledge and Industrial Technologies – Towards Horizon Europe |
Adham Hashibon |
FRAUNHOFER |
|
|
| Publication in conference proceeding/workshop |
Effect of the precursors morphologies on the electrochemical properties of NMC811 |
Andrea Querio, Maria Laura Para, Julia Amici, Antonello Barresi, Silvia Bodoardo, Daniele Marchisio |
POLITO |
Giornate dell’Elettrochimica Italiana (GEI) 2022 |
|
| Publication in conference proceeding/workshop |
Simulation of Continuous Ni-Mn-Co Hydroxide Co-precipitation by Compartmental Population Balance Modelling |
Mohsen Shiea, Andrea Querio, Antonio Buffo, Gianluca Boccardo, Daniele Marchisio |
POLITO |
7th International Conference on Population Balance Modelling |
|
| Publication in conference proceeding/workshop |
CFD-PBM Simulation of Nickel-Manganese-Cobalt Hydroxide Co-precipitation in CSTR |
Mohsen Shiea, Andrea Querio, Antonio Buffo, Gianluca Boccardo, Daniele Marchisio |
POLITO |
33rd International Conference on Parallel Computational Fluid Dynamics |
|
| Publication in conference proceeding/workshop |
Simulation of Ni-Mn-Co Hydroxide Co-Precipitation in a Continuous Stirred-Tank Reactor by adopting CFD and Population Balance Modelling |
Mohsen Shiea, Andrea Querio, Antonio Buffo, Gianluca Boccardo, Daniele Marchisio |
POLITO |
9th World Congress on Particle Technology |
|
| Publication in conference proceeding/workshop |
Effect of mixing on the reactive crystallization of NixMnyCo1-x-y(OH)2 hydroxides for battery applications |
Maria Laura Para, Mojtaba Alidoost, Mohsen Shiea, Gianluca Boccardo, Antonio Buffo, Antonello Barresi, Daniele Marchisio |
POLITO |
ISMIP10 |
|
| Publication in conference proceeding/workshop |
Coprecipitation of NixMnyCoz(OH)2 as precursor for ion lithium batteries: influence of mixing and operating conditions |
Daniele Marchisio, Roberto Pisano, Antonello Barresi, Antonio Buffo, Gianluca Boccardo, Mojtaba Alidoost, Mohsen Shiea, Maria Laura Para |
POLITO |
21st International Symposium on Industrial Crystallization |
|
| Publication in conference proceeding/workshop |
Development of a Modelling Framework for the Co-Precipitation of NMC Hydroxide as Precursor for Lithium Battery Cathodes |
Mohsen Shiea, Maria Laura Para, Antonio Buffo, Gianluca Boccardo, Daniele Marchisio |
POLITO |
21st International Symposium on Industrial Crystallization |
|
| Publication in conference proceeding/workshop |
Computational fluid dynamics for multiscale modelling: VIMMP and SimDOME test cases |
Daniele Marchisio |
POLITO |
|
|
| Publication in conference proceeding/workshop |
Slithering through codes to simulate photochemistry in complex environments |
Davide Avagliano |
UNIBO-CHIMIND |
TheoSim Seminar |
|
| Publication in conference proceeding/workshop |
The SHARC-COBRAMM Interface for QM/MM Trajectory Surface Hopping Simulations with Arbitrary Couplings |
Davide Avagliano |
UNIBO-CHIMIND |
VISTA Seminar |
|
| Publication in conference proceeding/workshop |
QM/MM simulation for Excited States |
Davide Avagliano |
UNIBO-CHIMIND |
Excited States and Nonadiabatic Dynamics Cybertraining Workshop |
|
