E-LIB Suche - Ergebnisse für: Gasparotto, Piero

1

TORO Indexer: a PyTorch-based indexing algorithm for kilohe..:

Gasparotto, Piero ; Barba, Luis ; Stadler, Hans-Christian...
Journal of Applied Crystallography. 57 (2024) 4 - p. 931-944 , 2024

Link: https://doi.org/10.1107/..

2

HydraScreen: A Generalizable Structure-Based Deep Learning ..:

Prat, Alvaro ; Abdel Aty, Hisham ; Bastas, Orestis...
Journal of Chemical Information and Modeling. 64 (2024) 15 - p. 5817-5831 , 2024

Link: https://doi.org/10.1021/..

3

Reconstructing the infrared spectrum of a peptide from repr..:

Kotobi, Amir ; Schwob, Lucas ; Vonbun-Feldbauer, Gregor B....
Communications Chemistry. 6 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

4

Erratum: "An accurate and transferable machine learning pot..:

Rowe, Patrick ; Deringer, Volker L. ; Gasparotto, Piero..
The Journal of Chemical Physics. 156 (2022) 15 - p. , 2022

Link: https://doi.org/10.1063/..

5

How do interfaces alter the dynamics of supercooled water?:

Gasparotto, Piero ; Fitzner, Martin ; Cox, Stephen James..
Nanoscale. 14 (2022) 11 - p. 4254-4262 , 2022

Link: https://doi.org/10.1039/..

6

Mapping the Structure of Oxygen-Doped Wurtzite Aluminum Nit..:

Gasparotto, Piero ; Fischer, Maria ; Scopece, Daniele...
ACS Applied Materials & Interfaces. 13 (2021) 4 - p. 5762-5771 , 2021

Link: https://doi.org/10.1021/..

7

Author Correction: Simulating the ghost: quantum dynamics o..:

Lan, Jinggang ; Kapil, Venkat ; Gasparotto, Piero...
Nature Communications. 12 (2021) 1 - p. , 2021

Link: https://doi.org/10.1038/..

8

Simulating the ghost: quantum dynamics of the solvated elec..:

Lan, Jinggang ; Kapil, Venkat ; Gasparotto, Piero...
Nature Communications. 12 (2021) 1 - p. , 2021

Link: https://doi.org/10.1038/..

9

An accurate and transferable machine learning potential for..:

Rowe, Patrick ; Deringer, Volker L. ; Gasparotto, Piero..
The Journal of Chemical Physics. 153 (2020) 3 - p. 034702 , 2020

Link: https://doi.org/10.1063/..

10

Using Dimensionality Reduction to Analyze Protein Trajector..:

Tribello, Gareth A. ; Gasparotto, Piero
Frontiers in Molecular Biosciences. 6 (2019) - p. , 2019

Link: https://doi.org/10.3389/..

11

Identifying and Tracking Defects in Dynamic Supramolecular ..:

Gasparotto, Piero ; Bochicchio, Davide ; Ceriotti, Michele.
The Journal of Physical Chemistry B. 124 (2019) 3 - p. 589-599 , 2019

Link: https://doi.org/10.1021/..

12

Atomic Motif Recognition in (Bio)Polymers: Benchmarks From ..:

Helfrecht, Benjamin A. ; Gasparotto, Piero ; Giberti, Federico.
Frontiers in Molecular Biosciences. 6 (2019) - p. , 2019

Link: https://doi.org/10.3389/..

13

Recognizing Local and Global Structural Motifs at the Atomi..:

Gasparotto, Piero ; Meißner, Robert Horst ; Ceriotti, Michele
Journal of Chemical Theory and Computation. 14 (2018) 2 - p. 486-498 , 2018

Link: https://doi.org/10.1021/..

14

Probing Defects and Correlations in the Hydrogen-Bond Netwo..:

Gasparotto, Piero ; Hassanali, Ali A. ; Ceriotti, Michele
Journal of Chemical Theory and Computation. 12 (2016) 4 - p. 1953-1964 , 2016

Link: https://doi.org/10.1021/..

15

Anharmonic and Quantum Fluctuations in Molecular Crystals: ..:

Rossi, Mariana ; Gasparotto, Piero ; Ceriotti, Michele
Physical Review Letters. 117 (2016) 11 - p. , 2016

Link: https://doi.org/10.1103/..