| Nome |
# |
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Characterization of PD-L1 binding sites by a combined FMO/GRID-DRY approach, file e4233f17-90de-2860-e053-6605fe0a460a
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61
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P-Type Silicon Strip Sensors for the new CMS Tracker at HL-LHC, file e4233f16-2ee3-2860-e053-6605fe0a460a
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56
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Prototyping a Cloud Ecosystem for a Regional Public Administration, file e4233f15-9ec1-2860-e053-6605fe0a460a
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38
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Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications, file e4233f18-a05a-2860-e053-6605fe0a460a
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35
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Hampering the early aggregation of PrP-E200K protein by charge-based inhibitors: a computational study, file e4233f18-a04e-2860-e053-6605fe0a460a
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21
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Harvesting dispersed computational resources with Openstack: a Cloud infrastructure for the Computational Science community, file e4233f17-1399-2860-e053-6605fe0a460a
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19
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Efficient Parallel All-Electron Four-Component Dirac–Kohn–Sham Program Using a Distributed Matrix Approach II, file e4233f15-a84c-2860-e053-6605fe0a460a
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18
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A Real-Time Demonstrator for Track Reconstruction in the CMS L1 Track-Trigger System Based on Custom Associative Memories and High-Performance FPGAs, file e4233f17-5e39-2860-e053-6605fe0a460a
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16
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Structural Reshaping of the Zinc-Finger Domain of the SARS-CoV-2 nsp13 Protein Using Bismuth(III) Ions: A Multilevel Computational Study, file 21c5e11c-a748-44f4-a0c6-0f142049e8b0
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14
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Toward machine learning for microscopic mechanisms: A formula search for crystal structure stability based on atomic properties, file 7a40e00e-0b66-4cbb-8c1b-add67a416ab0
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14
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Homodimeric complexes of the 90-231 human prion: a multilayered computational study based on FMO/GRID-DRY approach, file 283ae285-10af-4f5b-a34b-81456c503992
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13
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The Chemical Bond and s-d Hybridization in Coinage Metal(I) Cyanides, file e4233f19-3cfb-2860-e053-6605fe0a460a
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13
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Trapping in proton irradiated p+-n-n+ silicon sensors at fluences anticipated at the HL-LHC outer tracker, file e4233f15-90d5-2860-e053-6605fe0a460a
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12
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Randentropy: A Software to Measure Inequality in Random Systems, file e4233f18-f7d0-2860-e053-6605fe0a460a
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12
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Environmental Effects with Frozen-Density Embedding in Real-Time Time-Dependent Density Functional Theory Using Localized Basis Functions, file 8467c9de-024b-4e0a-b4ec-02e0fa96443e
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11
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On the Sensitivity of a Dynamic Measure of Financial Inequality, file e4233f18-8c6f-2860-e053-6605fe0a460a
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8
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Cover Image, file e4233f18-a67a-2860-e053-6605fe0a460a
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8
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Improved Quantum-Classical Treatment of N2-N2 Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data Sets, file 3c4f4db1-46d3-41fc-b044-1a17740a240e
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7
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Inelastic N 2 +H 2 collisions and quantum-classical rate coefficients: large datasets and machine learning predictions, file d8b5a31d-2e79-44e2-a939-93da122bd6b8
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7
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The role of APOSTART in switching between sexuality and apomixis in Poa pratensis, file e4233f18-2c8a-2860-e053-6605fe0a460a
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7
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Selection of the silicon sensor thickness for the Phase-2 upgrade of the CMS Outer Tracker, file e4233f18-c8ad-2860-e053-6605fe0a460a
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7
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Frozen-Density Embedding for Including Environmental Effects in the Dirac-Kohn-Sham Theory: An Implementation Based on Density Fitting and Prototyping Techniques, file 3f997120-47ed-4684-b064-1d53f5d964d0
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6
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Test beam performance of a CBC3-based mini-module for the Phase-2 CMS Outer Tracker before and after neutron irradiation, file 6ea12c0b-36de-4207-a74a-dc68a2e2fcf8
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6
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Implementation and Use of a Direct, Partially Integral-Driven Non-Dyson Propagator Method for Molecular Ionization, file e4233f15-a9e8-2860-e053-6605fe0a460a
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6
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Comparative evaluation of analogue front-end designs for the CMS Inner Tracker at the High Luminosity LHC, file e4233f18-c8af-2860-e053-6605fe0a460a
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6
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Charge-displacement analysis via natural orbitals for chemical valence in the four-component relativistic framework, file e4233f19-0775-2860-e053-6605fe0a460a
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6
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Parallelization of a relativistic DFT code, file e4233f15-a7cc-2860-e053-6605fe0a460a
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5
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Molecular photoionization cross sections by Stieltjes-Chebyshev moment theory applied to Lanczos pseudospectra, file e4233f15-a93f-2860-e053-6605fe0a460a
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5
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The CMS Phase-1 pixel detector upgrade, file e4233f18-d282-2860-e053-6605fe0a460a
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5
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Beam test performance of a prototype module with Short Strip ASICs for the CMS HL-LHC tracker upgrade, file f1145966-b787-460f-bae8-3cf90e40f5d1
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5
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BERTHA and PyBERTHA: State of the art for full four-component Dirac-kohn-sham calculations, file 2db4fe4c-5141-4df8-a643-6315afe4c794
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4
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Gold-superheavy-element interaction in diatomics and cluster adducts: A combined four-component Dirac-Kohn-Sham/charge-displacement study, file e4233f15-961a-2860-e053-6605fe0a460a
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4
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An Efficient Parallel All-Electron Four-Component Dirac-Kohn-Sham Program Using a Distributed Matrix Approach, file e4233f15-9f53-2860-e053-6605fe0a460a
|
4
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Effects of nuclear dynamics in the low-kinetic-energy Auger spectra of CO and CO2, file e4233f15-a278-2860-e053-6605fe0a460a
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4
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A photoelectron and double photoionization study of the valence electronic structure of 1,4-bromofluorobenzene, file e4233f15-a2ed-2860-e053-6605fe0a460a
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4
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Linear algebra computation benchmarks on a model grid platform, file e4233f15-a69a-2860-e053-6605fe0a460a
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4
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Modeling Mesoporous Nanoparticulated TiO2Films through Nanopolyhedra Random Packing, file e4233f15-a840-2860-e053-6605fe0a460a
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4
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Site-selected Auger electron spectroscopy of N2O, file e4233f15-ab43-2860-e053-6605fe0a460a
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4
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A model of the three-dimensional structure of human interferon responsive factor 1 and its modifications upon phosphorylation or phosphorylation-mimicking mutations, file e4233f17-19d0-2860-e053-6605fe0a460a
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4
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The Chemical Bond and s-d Hybridization in Coinage Metal(I) Cyanides, file e4233f17-440f-2860-e053-6605fe0a460a
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4
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Charge-displacement analysis via natural orbitals for chemical valence in the four-component relativistic framework, file e4233f19-314a-2860-e053-6605fe0a460a
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4
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Full Parallel Implementation of an All-Electron Four-Component Dirac–Kohn–Sham Program, file e4233f15-9e67-2860-e053-6605fe0a460a
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3
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Scientific objectives of Einstein Telescope, file e4233f15-9e74-2860-e053-6605fe0a460a
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3
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A cloud-based solution for public administrations: The experience of the Regione Marche, file e4233f15-9eb7-2860-e053-6605fe0a460a
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3
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Double photoionization of thiophene and bromine-substituted thiophenes, file e4233f15-a3cf-2860-e053-6605fe0a460a
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3
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The Auger spectroscopy of pyrimidine and halogen-substituted pyrimidines, file e4233f15-a634-2860-e053-6605fe0a460a
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3
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Shape and Morphology Effects on the Electronic Structure of TiO2Nanostructures: From Nanocrystals to Nanorods, file e4233f15-a846-2860-e053-6605fe0a460a
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3
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Inherent Electronic Trap States in TiO2 Nanocrystals: Effect of Saturation and Sintering, file e4233f15-a852-2860-e053-6605fe0a460a
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3
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Impact of low-dose electron irradiation on n+p silicon strip sensors, file e4233f15-a8ba-2860-e053-6605fe0a460a
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3
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Radiationless decay in the region of the 2t(2g) and 4e(g) resonances in SF(6), file e4233f15-a9e3-2860-e053-6605fe0a460a
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3
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Test beam demonstration of silicon microstrip modules with transverse momentum discrimination for the future CMS tracking detector, file e4233f16-d937-2860-e053-6605fe0a460a
|
3
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A database approach for materials selection for hydrogen storage in aerospace technology, file e4233f17-183d-2860-e053-6605fe0a460a
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3
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DeepGRID: Deep Learning Using GRID Descriptors for BBB Prediction, file 89324b50-c253-42c9-bd8e-d403646fc987
|
2
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A Pattern Recognition Mezzanine based on Associative Memory and FPGA technology for Level 1 Track Triggers for the HL-LHC upgrade, file e4233f15-982e-2860-e053-6605fe0a460a
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2
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A pattern recognition mezzanine based on associative memory and FPGA technology for L1 track triggering at HL-LHC, file e4233f15-9c91-2860-e053-6605fe0a460a
|
2
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Investigation of the molecular similarity in closely related protein systems: The PrP case study, file e4233f15-9e5f-2860-e053-6605fe0a460a
|
2
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|
Extending pK(a) prediction accuracy: High-throughput pK(a) measurements to understand pK(a) modulation of new chemical series, file e4233f15-9f56-2860-e053-6605fe0a460a
|
2
|
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In silico pK(a) Prediction and ADME Profiling, file e4233f15-9f59-2860-e053-6605fe0a460a
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2
|
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Predicting protein pK(a) by environment similarity, file e4233f15-9f5f-2860-e053-6605fe0a460a
|
2
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Tautomer Enumeration and Stability Prediction for Virtual Screening on Large Chemical Databases, file e4233f15-a36d-2860-e053-6605fe0a460a
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2
|
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Chemical Characterization of Super-Heavy Elements by Relativistic Four-Component DFT, file e4233f15-a68b-2860-e053-6605fe0a460a
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2
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Recent advances and perspectives in four-component Dirac-Kohn-Sham calculations, file e4233f15-a9e5-2860-e053-6605fe0a460a
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2
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Complete valence double photoionization of SF6, file e4233f15-aa9c-2860-e053-6605fe0a460a
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2
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|
An experimental and theoretical study of double photoionization of CF4 using time-of-flight photoelectron-photoelectron (photoion-photoion) coincidence spectroscopy, file e4233f15-ab3e-2860-e053-6605fe0a460a
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2
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New and original pK(a) prediction method using grid molecular interaction fields, file e4233f15-ac2d-2860-e053-6605fe0a460a
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2
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Characterisation of irradiated thin silicon sensors for the CMS phase II pixel upgrade, file e4233f16-3b68-2860-e053-6605fe0a460a
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2
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Precision measurement of the structure of the CMS inner tracking system using nuclear interactions, file e4233f16-f76c-2860-e053-6605fe0a460a
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2
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Experimental study of different silicon sensor options for the upgrade of the CMS Outer Tracker, file e4233f17-9242-2860-e053-6605fe0a460a
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2
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Spin-orbit coupling is the key to unraveling intriguing features of the halogen bond involving astatine, file e4233f17-964a-2860-e053-6605fe0a460a
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2
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Reactivity of antitumor coinage metal-based N-heterocyclic carbene complexes with cysteine and selenocysteine protein sites, file e4233f18-b87d-2860-e053-6605fe0a460a
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2
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|
Chemical bond analysis for the entire periodic table: energy decomposition and natural orbitals for chemical valence in the four-component relativistic framework, file 8004e569-f101-4720-81f6-3c1dc31cca64
|
1
|
|
Evaluation of planar silicon pixel sensors with the RD53A readout chip for the Phase-2 Upgrade of the CMS Inner Tracker, file 94bfa09f-e790-41dd-b30e-071c621d3045
|
1
|
|
DeepGRID: Deep Learning Using GRID Descriptors for BBB Prediction, file d4a90599-2fde-4a56-bb6d-eefd6b8459e3
|
1
|
|
Chemical Characterization of Super-Heavy Elements by Relativistic Four-Component DFT, file e4233f15-9751-2860-e053-6605fe0a460a
|
1
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|
Computing molecular energy surfaces on a Grid, file e4233f15-9e44-2860-e053-6605fe0a460a
|
1
|
|
Einstein gravitational wave Telescope conceptual design study, file e4233f15-a7bc-2860-e053-6605fe0a460a
|
1
|
|
The Effects of Ca2+ Concentration and E200K Mutation on the Aggregation Propensity of PrPC: A Computational Study, file e4233f15-de48-2860-e053-6605fe0a460a
|
1
|
|
Track Finding Mezzanine for Level-1 Triggering in HL-LHC Experiments, file e4233f16-1def-2860-e053-6605fe0a460a
|
1
|
|
Automated simulation of gas-phase reactions on distributed and cloud computing infrastructures, file e4233f16-2ee7-2860-e053-6605fe0a460a
|
1
|
|
The DAQ and control system for the CMS Phase-1 pixel detector upgrade, file e4233f17-8c8f-2860-e053-6605fe0a460a
|
1
|
|
BERTHA and PyBERTHA: State of the art for full four-component Dirac-kohn-sham calculations, file e4233f17-8df0-2860-e053-6605fe0a460a
|
1
|
|
Beam test performance of prototype silicon detectors for the Outer Tracker for the Phase-2 Upgrade of CMS, file e4233f17-94b6-2860-e053-6605fe0a460a
|
1
|
|
PyBERTHART: A Relativistic Real-Time Four-Component TDDFT Implementation Using Prototyping Techniques Based on Python, file e4233f18-c58b-2860-e053-6605fe0a460a
|
1
|
|
The BondMachine, a moldable computer architecture, file e4233f18-c8a9-2860-e053-6605fe0a460a
|
1
|
| Totale |
574 |