Loriano Storchi, PhD

Associate Professor & Lead Computational Scientist
Via Dei Vestini, 66100, Chieti, IT.

About

Highly accomplished Associate Professor and Lead Computational Scientist with over 20 years of expertise in High Performance Computing (HPC), parallel programming, and advanced computational chemistry and physics. Proven track record in developing commercial and research software, leading multidisciplinary projects in Machine Learning, Quantum Chemistry, and High Energy Physics, and driving innovation in cloud and FPGA-based computing solutions. Recognized for significant contributions to scientific publications and awarded for pioneering work in reconfigurable computing.

Work

University G. D'Annunzio Chieti-Pescara
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Associate Professor

Chieti-Pescara, Abruzzo, Italy

Summary

Leads teaching in General and Inorganic Chemistry, manages IT infrastructure for the Theoretical Inorganic Chemistry Group, and collaborates on Machine and Deep Learning and cheminformatics research.

Highlights

Taught General and Inorganic Chemistry courses, guiding hundreds of students in Biomedical Engineering and foundational sciences.

Managed and optimized network, servers, and HPC resources for the Theoretical Inorganic Chemistry Group, ensuring 99.9% system uptime for critical research.

Collaborated on interdisciplinary research projects, applying Machine Learning and Deep Learning techniques to bio- and cheminformatics.

Contributed to the development of advanced computational methods, enhancing research capabilities in complex chemical systems.

CNR SCITEC
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Researcher

Perugia, Umbria, Italy

Summary

Collaborates with the University of Perugia on relativistic DFT software development and with ISTM (CNR) on hybrid and organic photovoltaics projects, advancing computational chemistry.

Highlights

Developed and enhanced relativistic Density Functional Theory (DFT) software, contributing to cutting-edge computational chemistry research.

Collaborated on projects related to hybrid and organic photovoltaics, advancing materials science for sustainable energy applications.

Contributed to the Computational Laboratory for Hybrid and Organic Photovoltaics (CLHYO) initiatives, fostering inter-institutional research.

CERN (European Organization for Nuclear Research)
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Software Engineer

Genève, Geneva, Switzerland

Summary

Engaged in developing and testing track fitting algorithms for the CMS experiment's L1 Track Triggering, utilizing FPGA and Associative Memory to prevent data loss in the upgraded LHC.

Highlights

Developed and rigorously tested track fitting algorithms for the CMS experiment's L1 Track Triggering, ensuring efficient real-time trace reconstruction of charged particles.

Implemented algorithms on FPGA using Associative Memory, significantly optimizing data processing for the Large Hadron Collider (LHC) upgrade.

Engineered a PCA fitter for L1 track finding (github.com/lstorchi/pca_fit) and integrated it into the CMSSW framework (github.com/lstorchi/cmssw), enhancing system capabilities.

Presented research findings and project progress at numerous CERN meetings and Tracker week Phase II upgrade days, contributing to collaborative scientific advancement.

INFN (National Institute of Nuclear Physics)
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Researcher

Perugia, Umbria, Italy

Summary

Conducts research for the CMS experiment, focusing on cloud computing, OCP projects, and applying Machine Learning to High Energy Physics (HEP) and medical data.

Highlights

Led research into innovative cloud computing paradigms for the CMS experiment, optimizing infrastructure for future computing models.

Contributed to Open Cloud Platform (OCP) projects, enhancing distributed computing solutions for large-scale scientific data.

Awarded an Iron Medal at 'Innovate FPGA2018' for contributions to 'Reconfigurable Computing,' demonstrating leadership in hardware acceleration.

Applied Machine Learning techniques to HEP and medical data, improving data analysis and interpretation for complex datasets.

Molecular Discovery Ltd.
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Programmer Scientific Consultant

London, England, UK

Summary

Served as a scientific consultant and programmer, developing and optimizing commercial software for molecular discovery, significantly contributing to the company's product portfolio.

Highlights

Developed and optimized core components for commercial software including libgrid/grid, MoKa, and DeepGrid, enhancing drug discovery and molecular analysis capabilities.

Contributed to the development of in-silico pKa computation (MoKa), tautomer enumeration (libtaut/tauthor), and logD/logP prediction (liblogd), improving predictive modeling accuracy.

Enhanced molecular interaction field (MIF) analysis and protein pKa prediction (MoKaBio), leading to more robust and reliable computational results.

Acquired and applied proficiency in the Qt framework for commercial software development, improving user interface and application functionality.

University G. D'Annunzio Chieti-Pescara
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Researcher, Assistant Professor

Chieti-Pescara, Abruzzo, Italy

Summary

Conducted research, taught General and Inorganic Chemistry, managed IT infrastructure, and collaborated on Computational Finance projects, contributing to both academic and applied science.

Highlights

Taught General and Inorganic Chemistry courses, educating students and contributing to curriculum development over nine years.

Administered systems and networks for the Theoretical Inorganic Chemistry Group, maintaining essential research infrastructure.

Collaborated on Computational Finance projects, developing High-Performance Computing code for financial risk evaluation.

Contributed to bio and cheminformatics research, leveraging computational methods for scientific discovery and analysis.

ISTM-CNR (Institute of Molecular Science and Technologies)
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Staff Scientist

Perugia, Umbria, Italy

Summary

Conducted research focused on implementing and optimizing non-relativistic and relativistic DFT codes for parallel computer architectures and GPU environments.

Highlights

Implemented and optimized non-relativistic and relativistic DFT codes for parallel computing architectures, including GPU, enhancing computational efficiency.

Developed software and computational techniques for the simulation and characterization of TiO2 nanostructured materials, advancing materials science research.

Improved Python programming and Visualization Toolkit (VTK) skills, applying them to complex computational geometry problems.

CRC (Center for Research on Climate and Climate Change)
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Programmer Scientific Consultant

Perugia, Umbria, Italy

Summary

Optimized and ported meteorological platform codes to multi and many-core HPC environments, significantly improving performance for climate research.

Highlights

Optimized and ported meteorological platform codes to multi- and many-core HPC environments, achieving substantial performance improvements for climate simulations.

Provided scientific consulting and programming expertise, contributing to advanced climate modeling initiatives.

2b Solutions S.R.L.
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Programmer Consultant

Perugia, Umbria, Italy

Summary

Developed a database synchronization tool for the Joomla! platform as part of the 'Tazebao of the XXI century' project.

Highlights

Developed a Python-based tool for database synchronization on the Joomla! platform, ensuring efficient data management for the 'Tazebao of the XXI century' project.

INFN (National Institute of Nuclear Physics)
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Staff Scientist

Perugia, Umbria, Italy

Summary

Evaluated computational needs for the Einstein Telescope project, developed codes for gravitational signal analysis, and co-wrote the Design Study, contributing to cutting-edge physics research.

Highlights

Developed and optimized codes for gravitational signal analysis within the Einstein Telescope project, leveraging Many-Core (GPGPU) programming techniques.

Co-wrote the Design Study for the Einstein Telescope, providing critical input for project planning and execution.

Acquired foundational skills in Digital Signal Processing (DSP) and advanced Many-Core programming.

Served as a staff organizer for HOPV2010 as a consultant for the Italian Chemical Society.

Department of Chemistry University of Perugia
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Staff Scientist

Perugia, Umbria, Italy

Summary

Held a research grant for theoretical studies of ionized states, developed and parallelized code, and served as a Systems and Network Administrator.

Highlights

Developed and parallelized code for the theoretical study of lifetimes of ionized states, advancing research in non-Hermitian Green functions.

Administered systems and networks for ISTM and the Department of Chemistry, ensuring robust IT infrastructure for research activities.

Provided scientific consulting and programming for the CRC, optimizing and managing parallel codes for convective weather simulation in HPC environments.

Department of Chemistry University of Perugia
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Ph.D. Student

Perugia, Umbria, Italy

Summary

Conducted PhD research in Computational Chemistry, focusing on innovative strategies for quantum chemistry, and managed IT systems as a System and Network Administrator.

Highlights

Successfully completed Ph.D. with a thesis on 'Innovative computational strategies for ab-initio Quantum Chemistry: Grid Computing and novel Green's function techniques'.

Administered and configured network and servers (DNS, mail, DHCP, web servers) and clustered HPC Beowulf resources for ISTM and the Department of Chemistry.

Developed the not-Dyson ADC(3) method for molecular ionization spectra and a Java Servlet portal for potential energy surface simulations on a computing grid.

Contributed to the architectural and software aspects of the Chemgrid project, enhancing distributed computing for chemical applications.

Department of Computer Science University of Pisa
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Research Grant

Pisa, Tuscany, Italy

Summary

Developed codes for the ASSIST parallel environment and a methodology for dynamic memory allocation within high-performance distributed platforms.

Highlights

Developed codes for the ASSIST parallel environment, contributing to chemical applications on high-performance distributed platforms.

Created a methodology for dynamic memory allocation within the ASSIST framework, optimizing resource utilization and system efficiency.

ISTM (Institute of Molecular Science and Technologies) Department of Chemistry University of Perugia
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Research Grant

Perugia, Umbria, Italy

Summary

Engaged in programming across various scientific fields, supported system management and networking, and conducted research on parallelization of computational chemistry programs.

Highlights

Programmed in diverse scientific fields, supporting skilled personnel in system management and networking activities.

Conducted research on parallelization of computational chemistry programs using Message Passing and Shared Memory techniques, improving computational speed.

Developed ASSIST patterns and parallel programs, collaborating with the Italian Space Agency (ASI) and the Department of Computer Science (University of Pisa).

Education

Università degli Studi di Perugia
Perugia, Umbria, Italy

Ph.D. in Chemistry

Computational Chemistry

Università degli Studi di Perugia
Perugia, Umbria, Italy

Bachelor's degree in Chemistry

Chemical Physics

Grade: 110/110 cum laude

Awards

Consultancy Contract for Machine and Deep Learning techniques

Awarded By

University of Perugia (Project VITALITY)

Awarded a consultancy contract for expertise in Machine and Deep Learning techniques within the VITALITY project.

Top Downloaded Article (Wiley)

Awarded By

Wiley (Journal of Computational Chemistry)

Recognition for the publication 'Combining Machine Learning and Quantum Mechanics Yields More Chemically-Aware Molecular Descriptors for Medicinal Chemistry Applications'.

2020 HOT Article

Awarded By

Physical Chemistry Chemical Physics

Recognition for the publication 'Spin-orbit coupling is the key to unraveling intriguing features of the halogen bond involving astatine'.

Iron Medal at Innovate FPGA 2018

Awarded By

Intel

Awarded as part of the BondMachine project for contributions to 'Reconfigurable Computing', presented at Intel San Jose, CA, USA.

Qualified as Full Professor in General and Inorganic Chemistry (ASN - MIUR)

Awarded By

ASN - MIUR (Italian Ministry of Education, Universities and Research)

Achieved qualification as Full Professor in General and Inorganic Chemistry.

Publications

Environmental Effects via Frozen Density Embedding in Real-Time Time-Dependent Dirac–Kohn–Sham Theory: Solvation of Lead Halides

Published by

Journal of Chemical Theory and Computation

gCAMB: A GPU-accelerated Boltzmann solver for next-generation cosmological surveys

Published by

Astronomy and Computing

Operation and performance of the CMS silicon strip tracker with proton-proton collisions at the CERN LHC

Published by

Journal of Instrumentation

Extending a moldable computer architecture to accelerate DL inference on FPGA

Published by

Electronics

Acceleration of the Relativistic Dirac-Kohn-Sham Method with GPU: A Pre-Exascale Implementation of BERTHA and PyBERTHA

Published by

Journal of Chemical Theory Computation

Languages

Italian
English
French

Skills

Data Management

Data Lake, Smart Caching, Database Management.

Programming Languages

C/C++, Python, Fortran 77/90, Java, Pascal, Basic, x86 Assembly.

High Performance Computing (HPC)

Parallel Computing, Distributed Computing, Grid Computing, Cloud Computing, MPI, Posix Thread, OpenMP, GlobalArray, ScaLAPACK, GPGPU (CUDA, OpenCL), Code Optimization, Computational Architecture (CPU, Memory).

Computational Chemistry & Physics

Quantum Chemistry, Ab-Initio Quantum Chemistry, Computational Chemistry, Computational Physics, Relativistic DFT, Green's Function Techniques, Molecular Dynamics, Cheminformatics, Molecular Modeling, Drug Discovery, TiO2 Nanostructured Materials Simulation, Gravitational Signal Analysis.

Machine Learning & AI

Machine Learning, Deep Learning, Neural Networks, Data Analysis, Pattern Recognition.

Operating Systems & Networking

Linux, Unix, Microsoft Operating Systems, Network Administration, DNS, Mail Server, DHCP Server, Web Server, Network Protocols, Systems Engineering.

Hardware Acceleration

FPGA (Field-Programmable Gate Array), Associative Memory, GPU Computing.

Software Development & Tools

Commercial Software Development, Research Software Development, Qt Framework, VTK (The Visualization Toolkit), Joomla!, CMSSW Framework, Database Synchronization.

Scientific Domains

High Energy Physics (HEP), Computational Finance, Materials Science, Photovoltaics, Climate Change, Biomolecules.

Projects

BERTHA and PyBERTHA Development

Summary

Implementation, optimization, and parallelization of BERTHA (Four-Component Relativistic DFT code) and PyBERTHA for simulating big structures involving heavy and super heavy atoms.

PaGUSci Project: Parallelization and GPU Porting of Scientific Codes

Summary

Principal Investigator for a project within the Cascading Call issued by Spoke 3, focusing on the implementation of the 'National Centre for HPC, Big Data and Quantum Computing' research.

L1 Track Triggering of the CMS Experiment

Summary

Development and testing of track fitting algorithms for the CMS experiment's L1 Track Triggering, utilizing FPGA and Associative Memory to prevent data loss in the upgraded LHC.

Open City Platform (OCP)

Summary

Research, development, and testing of new open, interoperable, and usable-on-demand cloud technology solutions, along with innovative organizational models for sustainable service delivery by Local Government Administrations.

DeepGRID: Deep Learning using GRID descriptors

Summary

A CBB model to predict various drug-like molecule properties starting from the GRID MIF.

Einstein Telescope Project

Summary

Evaluation of computational needs and development of codes for gravitational signal analysis within the Many-Core (GPU) environment.

Chemgrid Project

Summary

A collaborative project focused on the architectural and software aspects of grid computing for chemical applications.