Notice détaillée
Titre
LCMD
Formal Name (French)
Laboratoire de design moléculaire computationnel
Formal Name (English)
Laboratory of Computational Molecular Design
Lab Manager
Wodrich, Matthew
Group ID
U11799
Auteurs affilié
Avaltroni, Fabrice
Azzouzi, Mohammed
Bassetta, Sara
Blaskovits, Jacob Terence
Bomble, Laëtitia
Bremond, Eric Albert Georges
Briling, Ksenia
Bujard, Véronique
Busch, Michael Markus
Calvino Alonso, Yannick
Casier, Bastien Freddy
Cho, Yuri
Corminboeuf, Clémence
Curchod, Basile
Célerse, Frédéric
Das, Shubhajit
De Silva, Piotr
Dos Santos Alves Jana, Daniel
Fabregat I De Aguilar-Amat, Raimon
Fabrizio, Alberto
Fumanal Quintana, Maria
Gallarati, Simone
Gonthier, Jérôme Florian
Gryn'ova, Ganna
Hernandez Cuellar, Osvaldo
Hojeij, Mohamad
Juraskova, Veronika
Konistyapina, Irina
Laplaza Solanas, Rubén
Li, Jian-Hao
Lin, Kun-Han
Liu, Hongguang
Mangione, Giulia
Marsh, Liam Oliver
Meyer, Benjamin
Neukomm, Théo Alain
Nicolai, Adrien Georges
Pastorczak, Ewa Maria
Petraglia, Riccardo
Prudent, Michel
Ruzicka, Stepan
Sawatlon, Boodsarin
Schleicher, Juliette Veronique
Schöpfer, Alexandre Alain
Steinmann, Stephan Niklaus
Su, Bin
Tentscher, Peter Rudolf
van Gerwen, Puck
Vannay, Laurent Alexis Clément
Vela Llausi, Sergio
Very, Thibaut
Weinreich, Jan
Wodrich, Matthew
Worakul, Thanapat
Wu, Shanshan
Yordanova, Tanya Kumanova
Azzouzi, Mohammed
Bassetta, Sara
Blaskovits, Jacob Terence
Bomble, Laëtitia
Bremond, Eric Albert Georges
Briling, Ksenia
Bujard, Véronique
Busch, Michael Markus
Calvino Alonso, Yannick
Casier, Bastien Freddy
Cho, Yuri
Corminboeuf, Clémence
Curchod, Basile
Célerse, Frédéric
Das, Shubhajit
De Silva, Piotr
Dos Santos Alves Jana, Daniel
Fabregat I De Aguilar-Amat, Raimon
Fabrizio, Alberto
Fumanal Quintana, Maria
Gallarati, Simone
Gonthier, Jérôme Florian
Gryn'ova, Ganna
Hernandez Cuellar, Osvaldo
Hojeij, Mohamad
Juraskova, Veronika
Konistyapina, Irina
Laplaza Solanas, Rubén
Li, Jian-Hao
Lin, Kun-Han
Liu, Hongguang
Mangione, Giulia
Marsh, Liam Oliver
Meyer, Benjamin
Neukomm, Théo Alain
Nicolai, Adrien Georges
Pastorczak, Ewa Maria
Petraglia, Riccardo
Prudent, Michel
Ruzicka, Stepan
Sawatlon, Boodsarin
Schleicher, Juliette Veronique
Schöpfer, Alexandre Alain
Steinmann, Stephan Niklaus
Su, Bin
Tentscher, Peter Rudolf
van Gerwen, Puck
Vannay, Laurent Alexis Clément
Vela Llausi, Sergio
Very, Thibaut
Weinreich, Jan
Wodrich, Matthew
Worakul, Thanapat
Wu, Shanshan
Yordanova, Tanya Kumanova
Institut
ISIC
Faculté
SB
Note
Members of LCMD-unit
Lien extérieur
http://lcmd.epfl.ch/
Publications
Development of Accurate and Efficient Electronic Structure Approaches for the Description of Organic Systems
Improving the Thermodynamic Profiles of Potential Suzuki-Miyaura Cross-Coupling Catalysts by Altering the Electrophilic Coupling Component
Machine learning models of the energy curvature vs particle number for optimal tuning of long-range corrected functionals
Metric learning for kernel ridge regression: assessment of molecular similarity
Microkinetic Molecular Volcano Plots for Enhanced Catalyst Selectivity and Activity Predictions
Migrative Carbofluorination of Saturated Amides Enabled by Pd-Based Dyotropic Rearrangement
Reaction Enthalpies Using the Neural-Network-Based X1 Approach: The Important Choice of Input Descriptors
System-Dependent Density Based Dispersion Correction
Visualizing and Quantifying Interactions in the Excited State
π-Depletion as criterion to predict π-stacking ability
Voir toutes les publications (284)
Improving the Thermodynamic Profiles of Potential Suzuki-Miyaura Cross-Coupling Catalysts by Altering the Electrophilic Coupling Component
Machine learning models of the energy curvature vs particle number for optimal tuning of long-range corrected functionals
Metric learning for kernel ridge regression: assessment of molecular similarity
Microkinetic Molecular Volcano Plots for Enhanced Catalyst Selectivity and Activity Predictions
Migrative Carbofluorination of Saturated Amides Enabled by Pd-Based Dyotropic Rearrangement
Reaction Enthalpies Using the Neural-Network-Based X1 Approach: The Important Choice of Input Descriptors
System-Dependent Density Based Dispersion Correction
Visualizing and Quantifying Interactions in the Excited State
π-Depletion as criterion to predict π-stacking ability
Voir toutes les publications (284)
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