DR. Christian Tantardini
Research Scientist III
CIPR
christian.tantardini@kfupm.edu.saCrystal structure of a 2:1 co-crystal of meloxicam with acetylendicarboxylic acid
Source function and plane waves: Toward complete bader analysis
DOI: 10.1002/jcc.24433
Hypervalency in organic crystals: A case study of the oxicam sulfonamide group
Topology: Vs. thermodynamics in chemical reactions: The instability of PH5
DOI: 10.1039/c7cp06130g
Crystal structure resolution of an insulator due to the cooperative Jahn-Teller effect through Bader's theory: The challenging case of cobaltite oxide Y114
DOI: 10.1039/c8dt00073e
A new equation of state for real gases developed into the framework of Bader’s Theory
Synthesis and crystal structure of a meloxicam co-crystal with benzoic acid
The role of S-bond in tenoxicam keto-enolic tautomerization
DOI: 10.1039/c9ce00874h
Dess-martin periodinane: The reactivity of a λ 5 -iodane catalyst explained by topological analysis
DOI: 10.1002/qua.25838
When does a hydrogen bond become a van der Waals interaction? a topological answer
DOI: 10.1002/jcc.25774
Seeking the best model for non-covalent interactions within the crystal structure of meloxicam
Exotic Two-Dimensional Structure: The First Case of Hexagonal NaCl
Computational search for new W-Mo-B compounds
The Volumetric Source Function: Looking Inside van der Waals Interactions
Computational Modeling of 2D Materials under High Pressure and Their Chemical Bonding: Silicene as Possible Field-Effect Transistor
The role of S-bond in tenoxicam keto–enolic tautomerization
Author Correction: Thermochemical electronegativities of the elements (Nature Communications, (2021), 12, 1, (2087), 10.1038/s41467-021-22429-0)
Thermochemical electronegativities of the elements
Band gap bowing and spectral width of Ga(1−x)InxN alloys for modelling light emitting diodes
“Self-trapping” in solar cell hybrid inorganic-organic perovskite absorbers
GIPAW Pseudopotentials of d Elements for Solid-State NMR
DOI: 10.3390/ma15093347
Sr-Doped Superionic Hydrogen Glass: Synthesis and Properties of SrH22
Crystal Structure Evolution of Fluorine under High Pressure
Constrained Density Functional Theory: A Potential-Based Self-Consistency Approach
Translucency and Color Stability of a Simplified Shade Nanohybrid Composite after Ultrasonic Scaling and Air-Powder Polishing
DOI: 10.3390/nano12244465
Electronic Properties of Functionalized Diamanes for Field-Emission Displays
Electronic Properties of Zn2V(1-x)NbxN3 Alloys to Model Novel Materials for Light-Emitting Diodes
Constrained DFT-based magnetic machine-learning potentials for magnetic alloys: a case study of Fe–Al
Variational density functional perturbation theory for metals
Full Breit Hamiltonian in the Multiwavelets Framework
Scalar Relativistic Effects with Multiwavelets: Implementation and Benchmark
Ultrafast Polarization Switching in BaTiO3 Nanomaterials: Combined Density Functional Theory and Coupled Oscillator Study
Generating and grading 34 optimised norm-conserving Vanderbilt pseudopotentials for actinides and super-heavy elements in the PseudoDojo
VAMPyR—A high-level Python library for mathematical operations in a multiwavelet representation
DOI: 10.1063/5.0203401
Chemical bonding within AIIIBVI materials under uniaxial compression
DOI: 10.1039/d4cp00937a
Fitting to magnetic forces improves the reliability of magnetic Moment Tensor Potentials
Gas-phase thorium molecules from laser ablation
Material hardness descriptor derived by symbolic regression
Melting simulations of high-entropy carbonitrides by deep learning potentials
Quantum modelling of magnetism in strongly correlated materials: Evaluating constrained DFT and the Hubbard model for Y114
Actively trained magnetic moment tensor potentials for mechanical, dynamical, and thermal properties of paramagnetic CrN
Amorphous Silica Interlayer Unlocks Direct Epitaxial Growth of CsPbBr3 on Silicon via Slip-and-Stick Mechanism
Microscopic Mechanisms, Morphology, and Defect Formation in the Thermally Activated Crystallization of Methylammonium Lead Iodide
Correction to “Amorphous Silica Interlayer Unlocks Direct Epitaxial Growth of CsPbBr3 on Silicon via Slip-and-Stick Mechanism”
SbIV, an Unusual Player in 2D Spintronic Devices
Charge density waves and structural phase transition in the high-Tc superconducting LaH10 quantum crystal
DOI: 10.1103/c7w9-7tgy
Designing high-efficiency cryogenic regenerators: The role of microstructure and geometry in magnetocaloric cooling
Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials
DOI: 10.1063/5.0288278
Gauge-invariant long-wavelength TDDFT without empty states: From polarizability to Kubo conductivity across heterogeneous materials
DOI: 10.1063/5.0310849
Low-temperature behavior of density-functional theory for metals based on density-functional perturbation theory and Sommerfeld expansion
DOI: 10.1103/yj83-j9p1